1-cycloheptylhex-5-en-1-ol

C13H24O — CID 65399153

IUPAC1-cycloheptylhex-5-en-1-ol
SMILESC=CCCCC(O)C1CCCCCC1
InChIInChI=1S/C13H24O/c1-2-3-6-11-13(14)12-9-7-4-5-8-10-12/h2,12-14H,1,3-11H2
InChIKeyBUFZVRHDPPUQCA-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds5

About 1-cycloheptylhex-5-en-1-ol

1-cycloheptylhex-5-en-1-ol (PubChem CID 65399153) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-cycloheptylhex-5-en-1-ol.

Molecular Properties

Compound Name1-cycloheptylhex-5-en-1-ol
PubChem CID65399153
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-cycloheptylhex-5-en-1-ol
SMILESC=CCCCC(O)C1CCCCCC1
InChIInChI=1S/C13H24O/c1-2-3-6-11-13(14)12-9-7-4-5-8-10-12/h2,12-14H,1,3-11H2
InChIKeyBUFZVRHDPPUQCA-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
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 1-cycloheptylhex-5-en-1-ol?
The IUPAC name of 1-cycloheptylhex-5-en-1-ol (CID 65399153) is 1-cycloheptylhex-5-en-1-ol.
What is the SMILES notation for 1-cycloheptylhex-5-en-1-ol?
The canonical SMILES for 1-cycloheptylhex-5-en-1-ol is C=CCCCC(O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptylhex-5-en-1-ol?
The InChIKey is BUFZVRHDPPUQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-6-11-13(14)12-9-7-4-5-8-10-12/h2,12-14H,1,3-11H2.
What are the key properties of 1-cycloheptylhex-5-en-1-ol?
1-cycloheptylhex-5-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylhex-5-en-1-ol is sourced from PubChem (CID 65399153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).