(3S,4R)-3-methyltridec-1-en-4-ol

C14H28O — CID 11031172

IUPAC(3S,4R)-3-methyltridec-1-en-4-ol
SMILESC=C[C@H](C)[C@H](O)CCCCCCCCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-14(15)13(3)5-2/h5,13-15H,2,4,6-12H2,1,3H3/t13-,14+/m0/s1
InChIKeyDYBKKJFEUIFOCB-UONOGXRCSA-N
MW212.38 g/mol
LogP4.31
Rot. Bonds10

About (3S,4R)-3-methyltridec-1-en-4-ol

(3S,4R)-3-methyltridec-1-en-4-ol (PubChem CID 11031172) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (3S,4R)-3-methyltridec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-methyltridec-1-en-4-ol
PubChem CID11031172
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(3S,4R)-3-methyltridec-1-en-4-ol
SMILESC=C[C@H](C)[C@H](O)CCCCCCCCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-14(15)13(3)5-2/h5,13-15H,2,4,6-12H2,1,3H3/t13-,14+/m0/s1
InChIKeyDYBKKJFEUIFOCB-UONOGXRCSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyltridec-1-en-4-ol?
The IUPAC name of (3S,4R)-3-methyltridec-1-en-4-ol (CID 11031172) is (3S,4R)-3-methyltridec-1-en-4-ol.
What is the SMILES notation for (3S,4R)-3-methyltridec-1-en-4-ol?
The canonical SMILES for (3S,4R)-3-methyltridec-1-en-4-ol is C=C[C@H](C)[C@H](O)CCCCCCCCC.
What is the InChIKey of (3S,4R)-3-methyltridec-1-en-4-ol?
The InChIKey is DYBKKJFEUIFOCB-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-14(15)13(3)5-2/h5,13-15H,2,4,6-12H2,1,3H3/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-3-methyltridec-1-en-4-ol?
(3S,4R)-3-methyltridec-1-en-4-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 (3S,4R)-3-methyltridec-1-en-4-ol is sourced from PubChem (CID 11031172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).