1-hydroxydodecyl 2-methylprop-2-enoate

C16H30O3 — CID 3018673

IUPAC1-hydroxydodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)CCCCCCCCCCC
InChIInChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-13-15(17)19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3
InChIKeyGXFJBYJZYDUMMA-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.34
Rot. Bonds12

About 1-hydroxydodecyl 2-methylprop-2-enoate

1-hydroxydodecyl 2-methylprop-2-enoate (PubChem CID 3018673) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-hydroxydodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-hydroxydodecyl 2-methylprop-2-enoate
PubChem CID3018673
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-hydroxydodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)CCCCCCCCCCC
InChIInChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-13-15(17)19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3
InChIKeyGXFJBYJZYDUMMA-UHFFFAOYSA-N
XLogP4.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

CID 21966208
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CID 168693
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CID 10081970
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CID 17972293
CID 17972293
CID 18508448
CID 18508448
CID 20096104
CID 20096104
CID 20096112
CID 20096112
CID 20565525
CID 20565525
CID 21863767
CID 21863767
CID 22136887
CID 22136887
CID 22242434
CID 22242434

Frequently Asked Questions

What is the IUPAC name of 1-hydroxydodecyl 2-methylprop-2-enoate?
The IUPAC name of 1-hydroxydodecyl 2-methylprop-2-enoate (CID 3018673) is 1-hydroxydodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-hydroxydodecyl 2-methylprop-2-enoate?
The canonical SMILES for 1-hydroxydodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(O)CCCCCCCCCCC.
What is the InChIKey of 1-hydroxydodecyl 2-methylprop-2-enoate?
The InChIKey is GXFJBYJZYDUMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-13-15(17)19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3.
What are the key properties of 1-hydroxydodecyl 2-methylprop-2-enoate?
1-hydroxydodecyl 2-methylprop-2-enoate has a molecular weight of 270.41 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxydodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 3018673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).