cyclohept-4-en-1-ylmethanol

C8H14O — CID 12630426

IUPACcyclohept-4-en-1-ylmethanol
SMILESOCC1CCC=CCC1
InChIInChI=1S/C8H14O/c9-7-8-5-3-1-2-4-6-8/h1-2,8-9H,3-7H2
InChIKeyNSKKIDPUEZRMTM-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.73
Rot. Bonds1

About cyclohept-4-en-1-ylmethanol

cyclohept-4-en-1-ylmethanol (PubChem CID 12630426) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is cyclohept-4-en-1-ylmethanol.

Molecular Properties

Compound Namecyclohept-4-en-1-ylmethanol
PubChem CID12630426
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namecyclohept-4-en-1-ylmethanol
SMILESOCC1CCC=CCC1
InChIInChI=1S/C8H14O/c9-7-8-5-3-1-2-4-6-8/h1-2,8-9H,3-7H2
InChIKeyNSKKIDPUEZRMTM-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohept-4-en-1-ylmethanol?
The IUPAC name of cyclohept-4-en-1-ylmethanol (CID 12630426) is cyclohept-4-en-1-ylmethanol.
What is the SMILES notation for cyclohept-4-en-1-ylmethanol?
The canonical SMILES for cyclohept-4-en-1-ylmethanol is OCC1CCC=CCC1.
What is the InChIKey of cyclohept-4-en-1-ylmethanol?
The InChIKey is NSKKIDPUEZRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c9-7-8-5-3-1-2-4-6-8/h1-2,8-9H,3-7H2.
What are the key properties of cyclohept-4-en-1-ylmethanol?
cyclohept-4-en-1-ylmethanol has a molecular weight of 126.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-4-en-1-ylmethanol is sourced from PubChem (CID 12630426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).