(E,14R)-1-methoxy-14-methylhexadec-8-ene

C18H36O — CID 102479957

IUPAC(E,14R)-1-methoxy-14-methylhexadec-8-ene
SMILESCC[C@@H](C)CCCC/C=C/CCCCCCCOC
InChIInChI=1S/C18H36O/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19-3/h6,8,18H,4-5,7,9-17H2,1-3H3/b8-6+/t18-/m1/s1
InChIKeyRWXALVKYPRVTKL-JHTBKMLMSA-N
MW268.48 g/mol
LogP6.14
Rot. Bonds14

About (E,14R)-1-methoxy-14-methylhexadec-8-ene

(E,14R)-1-methoxy-14-methylhexadec-8-ene (PubChem CID 102479957) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (E,14R)-1-methoxy-14-methylhexadec-8-ene.

Molecular Properties

Compound Name(E,14R)-1-methoxy-14-methylhexadec-8-ene
PubChem CID102479957
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(E,14R)-1-methoxy-14-methylhexadec-8-ene
SMILESCC[C@@H](C)CCCC/C=C/CCCCCCCOC
InChIInChI=1S/C18H36O/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19-3/h6,8,18H,4-5,7,9-17H2,1-3H3/b8-6+/t18-/m1/s1
InChIKeyRWXALVKYPRVTKL-JHTBKMLMSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,14R)-1-methoxy-14-methylhexadec-8-ene?
The IUPAC name of (E,14R)-1-methoxy-14-methylhexadec-8-ene (CID 102479957) is (E,14R)-1-methoxy-14-methylhexadec-8-ene.
What is the SMILES notation for (E,14R)-1-methoxy-14-methylhexadec-8-ene?
The canonical SMILES for (E,14R)-1-methoxy-14-methylhexadec-8-ene is CC[C@@H](C)CCCC/C=C/CCCCCCCOC.
What is the InChIKey of (E,14R)-1-methoxy-14-methylhexadec-8-ene?
The InChIKey is RWXALVKYPRVTKL-JHTBKMLMSA-N. The full InChI is InChI=1S/C18H36O/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19-3/h6,8,18H,4-5,7,9-17H2,1-3H3/b8-6+/t18-/m1/s1.
What are the key properties of (E,14R)-1-methoxy-14-methylhexadec-8-ene?
(E,14R)-1-methoxy-14-methylhexadec-8-ene has a molecular weight of 268.48 g/mol, XLogP of 6.14, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,14R)-1-methoxy-14-methylhexadec-8-ene is sourced from PubChem (CID 102479957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).