[1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate

C18H30O6 — CID 156900264

IUPAC[1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)(CCCCCCCC(C)O)OC(=O)C(=C)C
InChIInChI=1S/C18H30O6/c1-13(2)16(20)23-18(22,24-17(21)14(3)4)12-10-8-6-7-9-11-15(5)19/h15,19,22H,1,3,6-12H2,2,4-5H3
InChIKeyFBABVHDDADDIGE-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.98
Rot. Bonds12

About [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate

[1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate (PubChem CID 156900264) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
PubChem CID156900264
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name[1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)(CCCCCCCC(C)O)OC(=O)C(=C)C
InChIInChI=1S/C18H30O6/c1-13(2)16(20)23-18(22,24-17(21)14(3)4)12-10-8-6-7-9-11-15(5)19/h15,19,22H,1,3,6-12H2,2,4-5H3
InChIKeyFBABVHDDADDIGE-UHFFFAOYSA-N
XLogP2.98
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate 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-hydroxy-4-(hydroxymethyl)-5-methyl-1-(2-methylprop-2-enoyloxy)-4-propan-2-ylhexyl] 2-methylprop-2-enoate
CID 153344762
(2-hydroxy-3-methyldecan-2-yl) 2-methylprop-2-enoate
CID 87380512
[7-methyl-7-(2-methylprop-2-enoyloxy)octan-2-yl] 2-methylprop-2-enoate
CID 22259481
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
11-fluorodocosan-11-yl 2-methylprop-2-enoate
CID 88638006
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate
CID 164546755
[2,7-dihydroxy-2-methyl-3-(2-methylprop-2-enoyloxy)heptan-3-yl] 2-methylprop-2-enoate
CID 140807533
[1,1-dihydroxy-1-(2-methylprop-2-enoyloxy)tridecan-2-yl] 2-methylprop-2-enoate
CID 140578349
(1,12-dihydroxy-1-prop-2-enoyloxytetradecyl) prop-2-enoate
CID 154691680
7-hydroxyoct-1-en-3-yl 2-methylprop-2-enoate
CID 87881722
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527

Frequently Asked Questions

What is the IUPAC name of [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
The IUPAC name of [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate (CID 156900264) is [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
The canonical SMILES for [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(O)(CCCCCCCC(C)O)OC(=O)C(=C)C.
What is the InChIKey of [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
The InChIKey is FBABVHDDADDIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-13(2)16(20)23-18(22,24-17(21)14(3)4)12-10-8-6-7-9-11-15(5)19/h15,19,22H,1,3,6-12H2,2,4-5H3.
What are the key properties of [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
[1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate has a molecular weight of 342.43 g/mol, XLogP of 2.98, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate is sourced from PubChem (CID 156900264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).