[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol

C11H22O — CID 14166067

IUPAC[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CO
InChIInChI=1S/C11H22O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-12H,4-7H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyAEFLYRHUYOYCLW-MXWKQRLJSA-N
MW170.30 g/mol
LogP2.69
Rot. Bonds2

About [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol

[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol (PubChem CID 14166067) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
PubChem CID14166067
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CO
InChIInChI=1S/C11H22O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-12H,4-7H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyAEFLYRHUYOYCLW-MXWKQRLJSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064
2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
CID 141258734
5-(5-methyl-2-propan-2-ylcyclohexyl)pent-2-en-1-ol
CID 174145387
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl 2-aminoacetate
CID 153428354
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethylamino]-2-oxoacetic acid
CID 118049966
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol (CID 14166067) is [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CO.
What is the InChIKey of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The InChIKey is AEFLYRHUYOYCLW-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-12H,4-7H2,1-3H3/t9-,10-,11+/m1/s1.
What are the key properties of [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol has a molecular weight of 170.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 14166067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).