methyl (Z,14R)-14-methylhexadec-7-enoate

C18H34O2 — CID 170988097

IUPACmethyl (Z,14R)-14-methylhexadec-7-enoate
SMILESCC[C@@H](C)CCCCC/C=C\CCCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5-6,17H,4,7-16H2,1-3H3/b6-5-/t17-/m1/s1
InChIKeyFLSWPVXVIMOOQA-KEGWNNHHSA-N
MW282.47 g/mol
LogP5.66
Rot. Bonds13

About methyl (Z,14R)-14-methylhexadec-7-enoate

methyl (Z,14R)-14-methylhexadec-7-enoate (PubChem CID 170988097) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is methyl (Z,14R)-14-methylhexadec-7-enoate.

Molecular Properties

Compound Namemethyl (Z,14R)-14-methylhexadec-7-enoate
PubChem CID170988097
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namemethyl (Z,14R)-14-methylhexadec-7-enoate
SMILESCC[C@@H](C)CCCCC/C=C\CCCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5-6,17H,4,7-16H2,1-3H3/b6-5-/t17-/m1/s1
InChIKeyFLSWPVXVIMOOQA-KEGWNNHHSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.66
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'}

Analyze methyl (Z,14R)-14-methylhexadec-7-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

methyl (E)-14-methylhexadec-9-enoate
CID 91695396
methyl 23-methylpentacosanoate
CID 15047975
methyl (18R)-18-methylicosanoate
CID 102237844
methyl 11-methyltridecanoate
CID 14122942
methyl 10,15-dimethylheptadecanoate
CID 162457552
methyl 9,13-dimethylpentadecanoate
CID 162457550
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (E)-15-methylhexadec-11-enoate
CID 5364661
methyl 14-methylpentadec-10-enoate
CID 118599301
28-methyltriacontyl (Z)-tetradec-9-enoate
CID 166098384
15-methylheptadecyl (Z)-octadec-9-enoate
CID 166098449
16-methyloctadecyl tetracos-15-enoate
CID 166098386

Frequently Asked Questions

What is the IUPAC name of methyl (Z,14R)-14-methylhexadec-7-enoate?
The IUPAC name of methyl (Z,14R)-14-methylhexadec-7-enoate (CID 170988097) is methyl (Z,14R)-14-methylhexadec-7-enoate.
What is the SMILES notation for methyl (Z,14R)-14-methylhexadec-7-enoate?
The canonical SMILES for methyl (Z,14R)-14-methylhexadec-7-enoate is CC[C@@H](C)CCCCC/C=C\CCCCCC(=O)OC.
What is the InChIKey of methyl (Z,14R)-14-methylhexadec-7-enoate?
The InChIKey is FLSWPVXVIMOOQA-KEGWNNHHSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5-6,17H,4,7-16H2,1-3H3/b6-5-/t17-/m1/s1.
What are the key properties of methyl (Z,14R)-14-methylhexadec-7-enoate?
methyl (Z,14R)-14-methylhexadec-7-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,14R)-14-methylhexadec-7-enoate is sourced from PubChem (CID 170988097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).