1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol

C13H24O — CID 103277645

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
SMILESCC1=CC(C)CC(C(O)C(C)(C)C)C1
InChIInChI=1S/C13H24O/c1-9-6-10(2)8-11(7-9)12(14)13(3,4)5/h6,9,11-12,14H,7-8H2,1-5H3
InChIKeyVDTDPWIUYKZHQI-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.39
Rot. Bonds1

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol

1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 103277645) 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)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID103277645
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
SMILESCC1=CC(C)CC(C(O)C(C)(C)C)C1
InChIInChI=1S/C13H24O/c1-9-6-10(2)8-11(7-9)12(14)13(3,4)5/h6,9,11-12,14H,7-8H2,1-5H3
InChIKeyVDTDPWIUYKZHQI-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.39
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

1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 103277568
2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720
3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
CID 103277877
1-(3,5-dimethylcyclohex-3-en-1-yl)but-3-yn-1-ol
CID 103277637
(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103277723
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
CID 103277555
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103277023
[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277857
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782312
(3S)-1,3-dimethylcyclobutene
CID 58737300
1-[(3,5-dimethylcyclohex-3-en-1-yl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 103277848
(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 107559711

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol (CID 103277645) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol is CC1=CC(C)CC(C(O)C(C)(C)C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is VDTDPWIUYKZHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9-6-10(2)8-11(7-9)12(14)13(3,4)5/h6,9,11-12,14H,7-8H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol?
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.39, 1 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)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 103277645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).