2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol

C12H22O — CID 126624394

IUPAC2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC(C)C1C=CCCC1C(C)(C)O
InChIInChI=1S/C12H22O/c1-9(2)10-7-5-6-8-11(10)12(3,4)13/h5,7,9-11,13H,6,8H2,1-4H3
InChIKeyLATJLTJNOBSNOD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds2

About 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol

2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol (PubChem CID 126624394) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol
PubChem CID126624394
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC(C)C1C=CCCC1C(C)(C)O
InChIInChI=1S/C12H22O/c1-9(2)10-7-5-6-8-11(10)12(3,4)13/h5,7,9-11,13H,6,8H2,1-4H3
InChIKeyLATJLTJNOBSNOD-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.00
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

(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
(1S)-6-tert-butylcyclohex-2-en-1-ol
CID 102352565
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
2-methylbutan-2-ol;3-methylcyclopentene
CID 145265973
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
CID 134897656
3-cyclopent-2-en-1-yl-3-methylbutan-2-one
CID 13127866
3-butan-2-yloxy-2-cyclopent-2-en-1-yl-2-methyl-3-oxopropanoic acid
CID 70453874
3-propan-2-ylsulfanylcyclopentene
CID 59881933
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol?
The IUPAC name of 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol (CID 126624394) is 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol?
The canonical SMILES for 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol is CC(C)C1C=CCCC1C(C)(C)O.
What is the InChIKey of 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol?
The InChIKey is LATJLTJNOBSNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)10-7-5-6-8-11(10)12(3,4)13/h5,7,9-11,13H,6,8H2,1-4H3.
What are the key properties of 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol?
2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 126624394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).