methyl 14-methylpentadec-10-enoate

C17H32O2 — CID 118599301

IUPACmethyl 14-methylpentadec-10-enoate
SMILESCOC(=O)CCCCCCCCC=CCCC(C)C
InChIInChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h8,10,16H,4-7,9,11-15H2,1-3H3
InChIKeyDSGMFEBKHLDFTP-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.27
Rot. Bonds12

About methyl 14-methylpentadec-10-enoate

methyl 14-methylpentadec-10-enoate (PubChem CID 118599301) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is methyl 14-methylpentadec-10-enoate.

Molecular Properties

Compound Namemethyl 14-methylpentadec-10-enoate
PubChem CID118599301
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namemethyl 14-methylpentadec-10-enoate
SMILESCOC(=O)CCCCCCCCC=CCCC(C)C
InChIInChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h8,10,16H,4-7,9,11-15H2,1-3H3
InChIKeyDSGMFEBKHLDFTP-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl (E)-15-methylhexadec-11-enoate
CID 5364661
methyl (Z)-28-methyl-20,25-dioxononacos-10-enoate
CID 91065642
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl 12-methyltridec-9-enoate
CID 140574334
methyl (Z)-17-methyloctadec-4-enoate
CID 10686436
methyl (Z,14R)-14-methylhexadec-7-enoate
CID 170988097
methyl (E)-14-methylhexadec-9-enoate
CID 91695396
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl 21-methyldocosanoate
CID 14178788
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963
methyl (Z)-octadec-9-enoate
CID 5364509

Frequently Asked Questions

What is the IUPAC name of methyl 14-methylpentadec-10-enoate?
The IUPAC name of methyl 14-methylpentadec-10-enoate (CID 118599301) is methyl 14-methylpentadec-10-enoate.
What is the SMILES notation for methyl 14-methylpentadec-10-enoate?
The canonical SMILES for methyl 14-methylpentadec-10-enoate is COC(=O)CCCCCCCCC=CCCC(C)C.
What is the InChIKey of methyl 14-methylpentadec-10-enoate?
The InChIKey is DSGMFEBKHLDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h8,10,16H,4-7,9,11-15H2,1-3H3.
What are the key properties of methyl 14-methylpentadec-10-enoate?
methyl 14-methylpentadec-10-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-methylpentadec-10-enoate is sourced from PubChem (CID 118599301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).