(5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol

C11H20O — CID 45096401

IUPAC(5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=CC[C@H](C(C)C)CC1(C)O
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(4,12)7-10/h5,8,10,12H,6-7H2,1-4H3/t10-,11?/m0/s1
InChIKeyZLHWNKPHHBHGDH-VUWPPUDQSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds1

About (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol

(5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 45096401) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol
PubChem CID45096401
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=CC[C@H](C(C)C)CC1(C)O
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(4,12)7-10/h5,8,10,12H,6-7H2,1-4H3/t10-,11?/m0/s1
InChIKeyZLHWNKPHHBHGDH-VUWPPUDQSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
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

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4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol
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1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
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1-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]ethanone
CID 98101226
1-[(1S,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]ethanone
CID 92950860
(1R,2R,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
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(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 10261332
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
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Frequently Asked Questions

What is the IUPAC name of (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol (CID 45096401) is (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol is CC1=CC[C@H](C(C)C)CC1(C)O.
What is the InChIKey of (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is ZLHWNKPHHBHGDH-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(4,12)7-10/h5,8,10,12H,6-7H2,1-4H3/t10-,11?/m0/s1.
What are the key properties of (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol?
(5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,2-dimethyl-5-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 45096401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).