tridec-7-en-6-ol

C13H26O — CID 71418251

IUPACtridec-7-en-6-ol
SMILESCCCCCC=CC(O)CCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h10,12-14H,3-9,11H2,1-2H3
InChIKeyDMSBLLJVTQHJRR-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds9

About tridec-7-en-6-ol

tridec-7-en-6-ol (PubChem CID 71418251) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is tridec-7-en-6-ol.

Molecular Properties

Compound Nametridec-7-en-6-ol
PubChem CID71418251
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nametridec-7-en-6-ol
SMILESCCCCCC=CC(O)CCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h10,12-14H,3-9,11H2,1-2H3
InChIKeyDMSBLLJVTQHJRR-UHFFFAOYSA-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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Related Compounds

1-Octen-3-Ol
CID 18827
6-Nonen-1-ol, (6Z)-
CID 5362792
1-Nonen-3-ol
CID 89560
2-Nonen-1-ol, (2E)-
CID 5364941
2-Octen-4-ol, (2E)-
CID 5366203
2-Nonen-1-ol, (2Z)-
CID 5365027
2-Cyclohexen-1-OL
CID 13198
1-Decen-3-ol
CID 170977
3-Octen-2-ol
CID 42538
(R)-oct-1-en-3-ol
CID 6992244
6-Nonen-1-ol, (6E)-
CID 5362811
Undeca-1,5-dien-3-ol
CID 53981988

Frequently Asked Questions

What is the IUPAC name of tridec-7-en-6-ol?
The IUPAC name of tridec-7-en-6-ol (CID 71418251) is tridec-7-en-6-ol.
What is the SMILES notation for tridec-7-en-6-ol?
The canonical SMILES for tridec-7-en-6-ol is CCCCCC=CC(O)CCCCC.
What is the InChIKey of tridec-7-en-6-ol?
The InChIKey is DMSBLLJVTQHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h10,12-14H,3-9,11H2,1-2H3.
What are the key properties of tridec-7-en-6-ol?
tridec-7-en-6-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 tridec-7-en-6-ol is sourced from PubChem (CID 71418251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).