4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate

C89H150O26S — CID 164961909

IUPAC4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate
SMILESC=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCCCC(=O)OCCOC(C)C.C=C(C)C(=O)OCCCC(C)C.C=CC(=O)OCC(C)C.C=CC(=O)OCCCC(=O)OC(COC(C)C)CSc1ccccc1.C=CC(=O)OCCCC(=O)OCCOC(C)C.C=CC(=O)OCCCC(C)C.CC(C)OCC(OCC1CO1)C(C)C
InChIInChI=1S/C19H26O5S.C13H22O5.C12H20O5.C11H22O3.C10H18O2.C9H16O2.C8H14O2.C7H12O2/c1-4-18(20)22-12-8-11-19(21)24-16(13-23-15(2)3)14-25-17-9-6-5-7-10-17;1-10(2)13(15)18-7-5-6-12(14)17-9-8-16-11(3)4;1-4-11(13)16-7-5-6-12(14)17-9-8-15-10(2)3;1-8(2)11(7-12-9(3)4)14-6-10-5-13-10;1-8(2)6-5-7-12-10(11)9(3)4;1-4-9(10)11-7-5-6-8(2)3;1-6(2)5-10-8(9)7(3)4;1-4-7(8)9-5-6(2)3/h4-7,9-10,15-16H,1,8,11-14H2,2-3H3;11H,1,5-9H2,2-4H3;4,10H,1,5-9H2,2-3H3;8-11H,5-7H2,1-4H3;8H,3,5-7H2,1-2,4H3;4,8H,1,5-7H2,2-3H3;6H,3,5H2,1-2,4H3;4,6H,1,5H2,2-3H3
InChIKeyBYKNFIXSYIZIBZ-UHFFFAOYSA-N
MW1668.22 g/mol
LogP16.62
Rot. Bonds53

About 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate

4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate (PubChem CID 164961909) has the molecular formula C89H150O26S and a molecular weight of 1668.22 g/mol. Its IUPAC name is 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate.

Molecular Properties

Compound Name4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate
PubChem CID164961909
Molecular FormulaC89H150O26S
Molecular Weight1668.22 g/mol
Exact Mass1667.01
IUPAC Name4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate
SMILESC=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCCCC(=O)OCCOC(C)C.C=C(C)C(=O)OCCCC(C)C.C=CC(=O)OCC(C)C.C=CC(=O)OCCCC(=O)OC(COC(C)C)CSc1ccccc1.C=CC(=O)OCCCC(=O)OCCOC(C)C.C=CC(=O)OCCCC(C)C.CC(C)OCC(OCC1CO1)C(C)C
InChIInChI=1S/C19H26O5S.C13H22O5.C12H20O5.C11H22O3.C10H18O2.C9H16O2.C8H14O2.C7H12O2/c1-4-18(20)22-12-8-11-19(21)24-16(13-23-15(2)3)14-25-17-9-6-5-7-10-17;1-10(2)13(15)18-7-5-6-12(14)17-9-8-16-11(3)4;1-4-11(13)16-7-5-6-12(14)17-9-8-15-10(2)3;1-8(2)11(7-12-9(3)4)14-6-10-5-13-10;1-8(2)6-5-7-12-10(11)9(3)4;1-4-9(10)11-7-5-6-8(2)3;1-6(2)5-10-8(9)7(3)4;1-4-7(8)9-5-6(2)3/h4-7,9-10,15-16H,1,8,11-14H2,2-3H3;11H,1,5-9H2,2-4H3;4,10H,1,5-9H2,2-3H3;8-11H,5-7H2,1-4H3;8H,3,5-7H2,1-2,4H3;4,8H,1,5-7H2,2-3H3;6H,3,5H2,1-2,4H3;4,6H,1,5H2,2-3H3
InChIKeyBYKNFIXSYIZIBZ-UHFFFAOYSA-N
XLogP16.62
TPSA321.68 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds53
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.22
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate
CID 159388391
1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;2-[[5-methyl-1-(4-propan-2-ylphenoxy)hexan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate
CID 157137987
1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 165109185
2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate
CID 159256798
[1-phenylsulfanyl-3-[4-[9-[4-[3-phenylsulfanyl-2-(4-prop-2-enoyloxybutanoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] 4-prop-2-enoyloxybutanoate
CID 159166043
1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate
CID 158036769
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 6454134
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040
butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 88777427
1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate
CID 160858957
butyl prop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87732224
butyl 2-methylprop-2-enoate;ethene;oxiran-2-ylmethyl prop-2-enoate
CID 135308468

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate?
The IUPAC name of 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate (CID 164961909) is 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate.
What is the SMILES notation for 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate?
The canonical SMILES for 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate is C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCCCC(=O)OCCOC(C)C.C=C(C)C(=O)OCCCC(C)C.C=CC(=O)OCC(C)C.C=CC(=O)OCCCC(=O)OC(COC(C)C)CSc1ccccc1.C=CC(=O)OCCCC(=O)OCCOC(C)C.C=CC(=O)OCCCC(C)C.CC(C)OCC(OCC1CO1)C(C)C.
What is the InChIKey of 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate?
The InChIKey is BYKNFIXSYIZIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5S.C13H22O5.C12H20O5.C11H22O3.C10H18O2.C9H16O2.C8H14O2.C7H12O2/c1-4-18(20)22-12-8-11-19(21)24-16(13-23-15(2)3)14-25-17-9-6-5-7-10-17;1-10(2)13(15)18-7-5-6-12(14)17-9-8-16-11(3)4;1-4-11(13)16-7-5-6-12(14)17-9-8-15-10(2)3;1-8(2)11(7-12-9(3)4)14-6-10-5-13-10;1-8(2)6-5-7-12-10(11)9(3)4;1-4-9(10)11-7-5-6-8(2)3;1-6(2)5-10-8(9)7(3)4;1-4-7(8)9-5-6(2)3/h4-7,9-10,15-16H,1,8,11-14H2,2-3H3;11H,1,5-9H2,2-4H3;4,10H,1,5-9H2,2-3H3;8-11H,5-7H2,1-4H3;8H,3,5-7H2,1-2,4H3;4,8H,1,5-7H2,2-3H3;6H,3,5H2,1-2,4H3;4,6H,1,5H2,2-3H3.
What are the key properties of 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate?
4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate has a molecular weight of 1668.22 g/mol, XLogP of 16.62, 53 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate is sourced from PubChem (CID 164961909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).