3-(2-methylpentyl)cyclohept-2-en-1-ol

C13H24O — CID 107383651

IUPAC3-(2-methylpentyl)cyclohept-2-en-1-ol
SMILESCCCC(C)CC1=CC(O)CCCC1
InChIInChI=1S/C13H24O/c1-3-6-11(2)9-12-7-4-5-8-13(14)10-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyRBLXAGQIDPIXPJ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds4

About 3-(2-methylpentyl)cyclohept-2-en-1-ol

3-(2-methylpentyl)cyclohept-2-en-1-ol (PubChem CID 107383651) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-(2-methylpentyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(2-methylpentyl)cyclohept-2-en-1-ol
PubChem CID107383651
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-(2-methylpentyl)cyclohept-2-en-1-ol
SMILESCCCC(C)CC1=CC(O)CCCC1
InChIInChI=1S/C13H24O/c1-3-6-11(2)9-12-7-4-5-8-13(14)10-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyRBLXAGQIDPIXPJ-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpentyl)cyclopent-2-en-1-ol
CID 65174593
3-(2-methylpentyl)cyclopent-2-en-1-amine
CID 65174464
(1R)-3-propylcyclohex-2-en-1-ol
CID 101101480
ethane;1-(2-methylpentyl)cyclohexene
CID 144539810
(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
3-(3-ethylsulfanylpropyl)cyclohept-2-en-1-ol
CID 107383662
5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine
CID 65177413
3-butylcyclopent-2-en-1-ol
CID 65174589
3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
CID 107383499
3-(3-ethylsulfonylpropyl)cyclohex-2-en-1-ol
CID 65177264
3-methylcyclohex-2-en-1-ol;propane
CID 142858327
3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
CID 107383609

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentyl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(2-methylpentyl)cyclohept-2-en-1-ol (CID 107383651) is 3-(2-methylpentyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(2-methylpentyl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(2-methylpentyl)cyclohept-2-en-1-ol is CCCC(C)CC1=CC(O)CCCC1.
What is the InChIKey of 3-(2-methylpentyl)cyclohept-2-en-1-ol?
The InChIKey is RBLXAGQIDPIXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-6-11(2)9-12-7-4-5-8-13(14)10-12/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 3-(2-methylpentyl)cyclohept-2-en-1-ol?
3-(2-methylpentyl)cyclohept-2-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).