5-methyltridec-2-en-1-ol

C14H28O — CID 139697199

IUPAC5-methyltridec-2-en-1-ol
SMILESCCCCCCCCC(C)CC=CCO
InChIInChI=1S/C14H28O/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-15/h9-10,14-15H,3-8,11-13H2,1-2H3
InChIKeyIZPLDCWJQAQVDS-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.31
Rot. Bonds10

About 5-methyltridec-2-en-1-ol

5-methyltridec-2-en-1-ol (PubChem CID 139697199) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-methyltridec-2-en-1-ol.

Molecular Properties

Compound Name5-methyltridec-2-en-1-ol
PubChem CID139697199
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name5-methyltridec-2-en-1-ol
SMILESCCCCCCCCC(C)CC=CCO
InChIInChI=1S/C14H28O/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-15/h9-10,14-15H,3-8,11-13H2,1-2H3
InChIKeyIZPLDCWJQAQVDS-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.31
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)-6-methylhexadec-3-ene
CID 173194211
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
(E)-10-methyloctadec-7-ene
CID 173194246
9,16-dimethyltetracos-11-ene
CID 123705440
8-methyltridec-5-ene
CID 123857568
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-5-methyltetradec-7-ene
CID 173194503
3-methyltetradec-5-en-1-ol
CID 141478890
(Z)-5-methylundec-2-enoic acid
CID 155211364
(E)-13-ethyl-7-methylnonadec-9-ene
CID 173194422
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872

Frequently Asked Questions

What is the IUPAC name of 5-methyltridec-2-en-1-ol?
The IUPAC name of 5-methyltridec-2-en-1-ol (CID 139697199) is 5-methyltridec-2-en-1-ol.
What is the SMILES notation for 5-methyltridec-2-en-1-ol?
The canonical SMILES for 5-methyltridec-2-en-1-ol is CCCCCCCCC(C)CC=CCO.
What is the InChIKey of 5-methyltridec-2-en-1-ol?
The InChIKey is IZPLDCWJQAQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-15/h9-10,14-15H,3-8,11-13H2,1-2H3.
What are the key properties of 5-methyltridec-2-en-1-ol?
5-methyltridec-2-en-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltridec-2-en-1-ol is sourced from PubChem (CID 139697199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).