methyl (E)-14-methylhexadec-8-enoate

C18H34O2 — CID 6436648

IUPACmethyl (E)-14-methylhexadec-8-enoate
SMILESCCC(C)CCCC/C=C/CCCCCCC(=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/h5,7,17H,4,6,8-16H2,1-3H3/b7-5+
InChIKeyKXKSZSXMFYJWFU-FNORWQNLSA-N
MW282.47 g/mol
LogP5.66
Rot. Bonds13

About methyl (E)-14-methylhexadec-8-enoate

methyl (E)-14-methylhexadec-8-enoate (PubChem CID 6436648) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is methyl (E)-14-methylhexadec-8-enoate.

Molecular Properties

Compound Namemethyl (E)-14-methylhexadec-8-enoate
PubChem CID6436648
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namemethyl (E)-14-methylhexadec-8-enoate
SMILESCCC(C)CCCC/C=C/CCCCCCC(=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/h5,7,17H,4,6,8-16H2,1-3H3/b7-5+
InChIKeyKXKSZSXMFYJWFU-FNORWQNLSA-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'}

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Related Compounds

Ethyl Oleate
CID 5363269
Methyl Oleate
CID 5364509
Methyl linoleate
CID 5284421
Butyl Oleate
CID 5354342
Ethyl linolenate
CID 5367460
Oleic acid, ion(1-)
CID 5460221
Ethyl Linoleate
CID 5282184
Methyl Linolenate
CID 5319706
Methyl 9-undecenoate
CID 6435903
Decyl Oleate
CID 5363234
Citronellyl dodecanoate
CID 21263168
Citronellyl decanoate
CID 57353225

Frequently Asked Questions

What is the IUPAC name of methyl (E)-14-methylhexadec-8-enoate?
The IUPAC name of methyl (E)-14-methylhexadec-8-enoate (CID 6436648) is methyl (E)-14-methylhexadec-8-enoate.
What is the SMILES notation for methyl (E)-14-methylhexadec-8-enoate?
The canonical SMILES for methyl (E)-14-methylhexadec-8-enoate is CCC(C)CCCC/C=C/CCCCCCC(=O)OC.
What is the InChIKey of methyl (E)-14-methylhexadec-8-enoate?
The InChIKey is KXKSZSXMFYJWFU-FNORWQNLSA-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/h5,7,17H,4,6,8-16H2,1-3H3/b7-5+.
What are the key properties of methyl (E)-14-methylhexadec-8-enoate?
methyl (E)-14-methylhexadec-8-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 (E)-14-methylhexadec-8-enoate is sourced from PubChem (CID 6436648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).