4-methyltetradec-3-en-2-ol

C15H30O — CID 71428210

IUPAC4-methyltetradec-3-en-2-ol
SMILESCCCCCCCCCCC(C)=CC(C)O
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16/h13,15-16H,4-12H2,1-3H3
InChIKeyRRSMCUDIPHKCKK-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds10

About 4-methyltetradec-3-en-2-ol

4-methyltetradec-3-en-2-ol (PubChem CID 71428210) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 4-methyltetradec-3-en-2-ol.

Molecular Properties

Compound Name4-methyltetradec-3-en-2-ol
PubChem CID71428210
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name4-methyltetradec-3-en-2-ol
SMILESCCCCCCCCCCC(C)=CC(C)O
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16/h13,15-16H,4-12H2,1-3H3
InChIKeyRRSMCUDIPHKCKK-UHFFFAOYSA-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

(E)-4-ethyltetradec-3-en-2-ol
CID 101429656
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
4-methylheptadec-3-ene
CID 59169426
octane;propan-2-ol
CID 160746796
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-9-methylnonadec-9-ene
CID 14783585
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of 4-methyltetradec-3-en-2-ol?
The IUPAC name of 4-methyltetradec-3-en-2-ol (CID 71428210) is 4-methyltetradec-3-en-2-ol.
What is the SMILES notation for 4-methyltetradec-3-en-2-ol?
The canonical SMILES for 4-methyltetradec-3-en-2-ol is CCCCCCCCCCC(C)=CC(C)O.
What is the InChIKey of 4-methyltetradec-3-en-2-ol?
The InChIKey is RRSMCUDIPHKCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16/h13,15-16H,4-12H2,1-3H3.
What are the key properties of 4-methyltetradec-3-en-2-ol?
4-methyltetradec-3-en-2-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 4-methyltetradec-3-en-2-ol is sourced from PubChem (CID 71428210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).