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

C13H24O — CID 130126688

IUPAC1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CC(C)C=CC1C
InChIInChI=1S/C13H24O/c1-9(2)7-13(14)12-8-10(3)5-6-11(12)4/h5-6,9-14H,7-8H2,1-4H3
InChIKeyRSVNNYRZJJNWNL-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.24
Rot. Bonds3

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

1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol (PubChem CID 130126688) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol
PubChem CID130126688
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CC(C)C=CC1C
InChIInChI=1S/C13H24O/c1-9(2)7-13(14)12-8-10(3)5-6-11(12)4/h5-6,9-14H,7-8H2,1-4H3
InChIKeyRSVNNYRZJJNWNL-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.24
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-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol
CID 15535047
(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one
CID 10012657
ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate
CID 91329381
3-butan-2-yl-5-methylcyclopentene
CID 143604175
2,5-dimethylcyclohex-3-ene-1-carbonyl chloride
CID 54102044
1-[(1R,2R)-2-(2-methylpropyl)cyclopropyl]propan-1-ol
CID 131228133
3-butan-2-yl-5-methylcyclopentene;methane
CID 143604174
2-[(2,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 126626962
(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol
CID 11133052
actinium;4-methylcyclopent-2-en-1-ol
CID 20708728
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol (CID 130126688) is 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol is CC(C)CC(O)C1CC(C)C=CC1C.
What is the InChIKey of 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol?
The InChIKey is RSVNNYRZJJNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)7-13(14)12-8-10(3)5-6-11(12)4/h5-6,9-14H,7-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol?
1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 130126688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).