1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol

C13H24O — CID 103277568

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
SMILESCCCCC(O)C1CC(C)=CC(C)C1
InChIInChI=1S/C13H24O/c1-4-5-6-13(14)12-8-10(2)7-11(3)9-12/h7,10,12-14H,4-6,8-9H2,1-3H3
InChIKeyQRTJLDXKBIJBGK-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol

1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol (PubChem CID 103277568) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
PubChem CID103277568
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
SMILESCCCCC(O)C1CC(C)=CC(C)C1
InChIInChI=1S/C13H24O/c1-4-5-6-13(14)12-8-10(2)7-11(3)9-12/h7,10,12-14H,4-6,8-9H2,1-3H3
InChIKeyQRTJLDXKBIJBGK-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
CID 103277877
2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine
CID 103276078
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 103277497
1-cyclopropylpentan-1-ol
CID 551238
(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol
CID 103277462
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 103277705
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
CID 103277555
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
CID 65411363
2-(3,5-dimethylcyclohex-3-en-1-yl)-2-[ethyl(formyl)amino]acetic acid
CID 103277344
3-(azepan-1-yl)-3-(3,5-dimethylcyclohex-3-en-1-yl)propanoic acid
CID 103277816

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol (CID 103277568) is 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol is CCCCC(O)C1CC(C)=CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol?
The InChIKey is QRTJLDXKBIJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-6-13(14)12-8-10(2)7-11(3)9-12/h7,10,12-14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol?
1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol is sourced from PubChem (CID 103277568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).