(E,7S)-3-methyltetradec-2-en-7-ol

C15H30O — CID 163046073

IUPAC(E,7S)-3-methyltetradec-2-en-7-ol
SMILESC/C=C(\C)CCC[C@@H](O)CCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-12-15(16)13-10-11-14(3)5-2/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-/m0/s1
InChIKeyXAAVSUOCOJLKBW-JVDKPVQESA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds10

About (E,7S)-3-methyltetradec-2-en-7-ol

(E,7S)-3-methyltetradec-2-en-7-ol (PubChem CID 163046073) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (E,7S)-3-methyltetradec-2-en-7-ol.

Molecular Properties

Compound Name(E,7S)-3-methyltetradec-2-en-7-ol
PubChem CID163046073
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(E,7S)-3-methyltetradec-2-en-7-ol
SMILESC/C=C(\C)CCC[C@@H](O)CCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-12-15(16)13-10-11-14(3)5-2/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-/m0/s1
InChIKeyXAAVSUOCOJLKBW-JVDKPVQESA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
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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Related Compounds

6-Methyl-5-hepten-2-ol
CID 20745
Myristoleyl alcohol
CID 5364712
8-Dodecen-1-ol, (8Z)-
CID 5283295
Cis-11-tetradecenol
CID 1712010
(Z)-dodec-7-enol
CID 5362794
11-Tetradecen-1-ol, (11E)-
CID 1712011
9-Dodecen-1-ol, (9E)-
CID 5283277
(9E)-9-Tetradecen-1-ol
CID 5352284
9-Dodecen-1-ol, (9Z)-
CID 6431342
cis-7-Tetradecenol
CID 5362795
9-Dodecen-1-ol
CID 93181
4-Methyldec-3-en-5-ol
CID 6441135

Frequently Asked Questions

What is the IUPAC name of (E,7S)-3-methyltetradec-2-en-7-ol?
The IUPAC name of (E,7S)-3-methyltetradec-2-en-7-ol (CID 163046073) is (E,7S)-3-methyltetradec-2-en-7-ol.
What is the SMILES notation for (E,7S)-3-methyltetradec-2-en-7-ol?
The canonical SMILES for (E,7S)-3-methyltetradec-2-en-7-ol is C/C=C(\C)CCC[C@@H](O)CCCCCCC.
What is the InChIKey of (E,7S)-3-methyltetradec-2-en-7-ol?
The InChIKey is XAAVSUOCOJLKBW-JVDKPVQESA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-7-8-9-12-15(16)13-10-11-14(3)5-2/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-/m0/s1.
What are the key properties of (E,7S)-3-methyltetradec-2-en-7-ol?
(E,7S)-3-methyltetradec-2-en-7-ol has a molecular weight of 226.40 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-3-methyltetradec-2-en-7-ol is sourced from PubChem (CID 163046073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).