(E)-tridec-6-en-4-ol

C13H26O — CID 13481072

IUPAC(E)-tridec-6-en-4-ol
SMILESCCCCCC/C=C/CC(O)CCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3/b10-9+
InChIKeyXLCVVCTWQIDZDS-MDZDMXLPSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds9

About (E)-tridec-6-en-4-ol

(E)-tridec-6-en-4-ol (PubChem CID 13481072) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-tridec-6-en-4-ol.

Molecular Properties

Compound Name(E)-tridec-6-en-4-ol
PubChem CID13481072
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E)-tridec-6-en-4-ol
SMILESCCCCCC/C=C/CC(O)CCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3/b10-9+
InChIKeyXLCVVCTWQIDZDS-MDZDMXLPSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
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 (E)-tridec-6-en-4-ol?
The IUPAC name of (E)-tridec-6-en-4-ol (CID 13481072) is (E)-tridec-6-en-4-ol.
What is the SMILES notation for (E)-tridec-6-en-4-ol?
The canonical SMILES for (E)-tridec-6-en-4-ol is CCCCCC/C=C/CC(O)CCC.
What is the InChIKey of (E)-tridec-6-en-4-ol?
The InChIKey is XLCVVCTWQIDZDS-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3/b10-9+.
What are the key properties of (E)-tridec-6-en-4-ol?
(E)-tridec-6-en-4-ol has a molecular weight of 198.35 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tridec-6-en-4-ol is sourced from PubChem (CID 13481072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).