decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate

C38H66O10 — CID 174829923

IUPACdecyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OC.C=C(CC)C(=O)OCC(C)C.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H24O2.C9H16O2.C6H10O2.2C5H8O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-5-8(4)9(10)11-6-7(2)3;1-4-5(2)6(7)8-3;2*1-3-5(6)7-4-2/h4H,2-3,5-12H2,1H3;7H,4-6H2,1-3H3;2,4H2,1,3H3;2*3H,1,4H2,2H3
InChIKeyYWJRTWHCOFXHIG-UHFFFAOYSA-N
MW682.94 g/mol
LogP8.60
Rot. Bonds20

About decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate

decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate (PubChem CID 174829923) has the molecular formula C38H66O10 and a molecular weight of 682.94 g/mol. Its IUPAC name is decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate.

Molecular Properties

Compound Namedecyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate
PubChem CID174829923
Molecular FormulaC38H66O10
Molecular Weight682.94 g/mol
Exact Mass682.47
IUPAC Namedecyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OC.C=C(CC)C(=O)OCC(C)C.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H24O2.C9H16O2.C6H10O2.2C5H8O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-5-8(4)9(10)11-6-7(2)3;1-4-5(2)6(7)8-3;2*1-3-5(6)7-4-2/h4H,2-3,5-12H2,1H3;7H,4-6H2,1-3H3;2,4H2,1,3H3;2*3H,1,4H2,2H3
InChIKeyYWJRTWHCOFXHIG-UHFFFAOYSA-N
XLogP8.60
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.94
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}

Analyze decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate with MolForge

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Related Compounds

hexyl 2-methylidenebutanoate;2-methylpropyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 87479034
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
10-prop-2-enoyloxydecyl 2-methylidenebutanoate
CID 129102751
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
dodecyl prop-2-enoate;prop-2-enoyl 2-methoxyprop-2-enoate
CID 174785474
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
butyl prop-2-enoate;3-methylbutyl prop-2-enoate;2-methylpropyl prop-2-enoate;pentyl prop-2-enoate
CID 174806895
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669

Frequently Asked Questions

What is the IUPAC name of decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate?
The IUPAC name of decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate (CID 174829923) is decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate.
What is the SMILES notation for decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate?
The canonical SMILES for decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate is C=C(CC)C(=O)OC.C=C(CC)C(=O)OCC(C)C.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate?
The InChIKey is YWJRTWHCOFXHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C9H16O2.C6H10O2.2C5H8O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-5-8(4)9(10)11-6-7(2)3;1-4-5(2)6(7)8-3;2*1-3-5(6)7-4-2/h4H,2-3,5-12H2,1H3;7H,4-6H2,1-3H3;2,4H2,1,3H3;2*3H,1,4H2,2H3.
What are the key properties of decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate?
decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate has a molecular weight of 682.94 g/mol, XLogP of 8.60, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-enoate;bis(ethyl prop-2-enoate);methyl 2-methylidenebutanoate;2-methylpropyl 2-methylidenebutanoate is sourced from PubChem (CID 174829923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).