(E)-2-methoxy-3-methylidenehexadec-4-en-7-ol

C18H34O2 — CID 11065924

IUPAC(E)-2-methoxy-3-methylidenehexadec-4-en-7-ol
SMILESC=C(/C=C/CC(O)CCCCCCCCC)C(C)OC
InChIInChI=1S/C18H34O2/c1-5-6-7-8-9-10-11-14-18(19)15-12-13-16(2)17(3)20-4/h12-13,17-19H,2,5-11,14-15H2,1,3-4H3/b13-12+
InChIKeyPWPICYTYJLAMHW-OUKQBFOZSA-N
MW282.47 g/mol
LogP5.03
Rot. Bonds13

About (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol

(E)-2-methoxy-3-methylidenehexadec-4-en-7-ol (PubChem CID 11065924) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol.

Molecular Properties

Compound Name(E)-2-methoxy-3-methylidenehexadec-4-en-7-ol
PubChem CID11065924
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(E)-2-methoxy-3-methylidenehexadec-4-en-7-ol
SMILESC=C(/C=C/CC(O)CCCCCCCCC)C(C)OC
InChIInChI=1S/C18H34O2/c1-5-6-7-8-9-10-11-14-18(19)15-12-13-16(2)17(3)20-4/h12-13,17-19H,2,5-11,14-15H2,1,3-4H3/b13-12+
InChIKeyPWPICYTYJLAMHW-OUKQBFOZSA-N
XLogP5.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-5-hydroxydec-2-enoate
CID 134979817
5-hydroxyundec-2-enoic acid
CID 54094975
(Z)-tridec-2-en-5-ol
CID 11564658
(E)-octadec-1-ene-1,4-diol
CID 87483971
(E,5S)-tridec-2-en-5-ol
CID 87621618
5,8-dihydroxyoctadec-2-enoic acid
CID 162533273
(Z)-pentadec-8-en-6-ol
CID 10398809
(Z)-octadec-10-en-8-ol
CID 173051806
(E,10S)-henicos-7-en-10-ol
CID 14607531
(4R)-dodec-1-en-4-ol
CID 11074077
(E)-5-hydroxy-N-(2-methylpropyl)dec-2-enamide
CID 11128451
(4S)-1-trimethylsilyldec-1-en-4-ol
CID 71378024

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol?
The IUPAC name of (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol (CID 11065924) is (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol.
What is the SMILES notation for (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol?
The canonical SMILES for (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol is C=C(/C=C/CC(O)CCCCCCCCC)C(C)OC.
What is the InChIKey of (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol?
The InChIKey is PWPICYTYJLAMHW-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-6-7-8-9-10-11-14-18(19)15-12-13-16(2)17(3)20-4/h12-13,17-19H,2,5-11,14-15H2,1,3-4H3/b13-12+.
What are the key properties of (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol?
(E)-2-methoxy-3-methylidenehexadec-4-en-7-ol has a molecular weight of 282.47 g/mol, XLogP of 5.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-3-methylidenehexadec-4-en-7-ol is sourced from PubChem (CID 11065924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).