ethyl 10-ethenyl-10-hydroxydodec-11-enoate

C16H28O3 — CID 154131871

IUPACethyl 10-ethenyl-10-hydroxydodec-11-enoate
SMILESC=CC(O)(C=C)CCCCCCCCC(=O)OCC
InChIInChI=1S/C16H28O3/c1-4-16(18,5-2)14-12-10-8-7-9-11-13-15(17)19-6-3/h4-5,18H,1-2,6-14H2,3H3
InChIKeyBOSRTCDZXVRNHY-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.77
Rot. Bonds12

About ethyl 10-ethenyl-10-hydroxydodec-11-enoate

ethyl 10-ethenyl-10-hydroxydodec-11-enoate (PubChem CID 154131871) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 10-ethenyl-10-hydroxydodec-11-enoate.

Molecular Properties

Compound Nameethyl 10-ethenyl-10-hydroxydodec-11-enoate
PubChem CID154131871
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nameethyl 10-ethenyl-10-hydroxydodec-11-enoate
SMILESC=CC(O)(C=C)CCCCCCCCC(=O)OCC
InChIInChI=1S/C16H28O3/c1-4-16(18,5-2)14-12-10-8-7-9-11-13-15(17)19-6-3/h4-5,18H,1-2,6-14H2,3H3
InChIKeyBOSRTCDZXVRNHY-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Lepidiumterpenyl ester
CID 11794320
(4S,8R,12R)-13-hept-6-enoxy-4,8,12-trimethyl-13-oxotridecanoic acid
CID 162863126
6-Hydroxy-2,6-dimethyloct-7-enoic acid
CID 59229404
14-Hydroxy-14-methylhexadec-15-enoic acid
CID 551267
1-Oxacyclopentadecan-2-one, 15-ethenyl-15-methyl
CID 549360
14-Hydroxy-14-methyl-hexadec-15-enoic acid, methyl ester
CID 551477
Ethyl 5-(1-hydroxycyclohexyl)hepta-5,6-dienoate
CID 15174672
7-Ethenyl-7-hydroxydodecanal
CID 57148891
Cyclopentanepropanoic acid, beta-ethenyl-beta-hydroxy-, ethyl ester
CID 58764224
6-Hydroxy-2,6-dimethyloct-7-enoate
CID 59229403
Dec-9-enyl 3-hydroxy-3-methylundecanoate
CID 85746274
Ethyl 16-hydroxy-16-methylicos-14-enoate
CID 86215744

Frequently Asked Questions

What is the IUPAC name of ethyl 10-ethenyl-10-hydroxydodec-11-enoate?
The IUPAC name of ethyl 10-ethenyl-10-hydroxydodec-11-enoate (CID 154131871) is ethyl 10-ethenyl-10-hydroxydodec-11-enoate.
What is the SMILES notation for ethyl 10-ethenyl-10-hydroxydodec-11-enoate?
The canonical SMILES for ethyl 10-ethenyl-10-hydroxydodec-11-enoate is C=CC(O)(C=C)CCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl 10-ethenyl-10-hydroxydodec-11-enoate?
The InChIKey is BOSRTCDZXVRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-4-16(18,5-2)14-12-10-8-7-9-11-13-15(17)19-6-3/h4-5,18H,1-2,6-14H2,3H3.
What are the key properties of ethyl 10-ethenyl-10-hydroxydodec-11-enoate?
ethyl 10-ethenyl-10-hydroxydodec-11-enoate has a molecular weight of 268.40 g/mol, XLogP of 3.77, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-ethenyl-10-hydroxydodec-11-enoate is sourced from PubChem (CID 154131871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).