trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol

C12H22O — CID 178196709

IUPACtrans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=C(C)CC[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C12H22O/c1-10(2)7-8-11-6-4-5-9-12(11,3)13/h11,13H,1,4-9H2,2-3H3/t11-,12+/m1/s1
InChIKeyULPXZQSLUASZSY-NEPJUHHUSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds3

About trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol

trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol (PubChem CID 178196709) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
PubChem CID178196709
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Nametrans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=C(C)CC[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C12H22O/c1-10(2)7-8-11-6-4-5-9-12(11,3)13/h11,13H,1,4-9H2,2-3H3/t11-,12+/m1/s1
InChIKeyULPXZQSLUASZSY-NEPJUHHUSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol (CID 178196709) is trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol is C=C(C)CC[C@H]1CCCC[C@]1(C)O.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The InChIKey is ULPXZQSLUASZSY-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)7-8-11-6-4-5-9-12(11,3)13/h11,13H,1,4-9H2,2-3H3/t11-,12+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol is sourced from PubChem (CID 178196709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).