cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol

C11H22O — CID 58431829

IUPACcis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C11H22O/c1-10(2,3)9-7-5-6-8-11(9,4)12/h9,12H,5-8H2,1-4H3/t9-,11+/m1/s1
InChIKeyKBIPDYYQSKEUOC-KOLCDFICSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds

About cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol

cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol (PubChem CID 58431829) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
PubChem CID58431829
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namecis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C11H22O/c1-10(2,3)9-7-5-6-8-11(9,4)12/h9,12H,5-8H2,1-4H3/t9-,11+/m1/s1
InChIKeyKBIPDYYQSKEUOC-KOLCDFICSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol (CID 58431829) is cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol is CC(C)(C)[C@H]1CCCC[C@]1(C)O.
What is the InChIKey of cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol?
The InChIKey is KBIPDYYQSKEUOC-KOLCDFICSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2,3)9-7-5-6-8-11(9,4)12/h9,12H,5-8H2,1-4H3/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol?
cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol is sourced from PubChem (CID 58431829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).