(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol

C11H22O — CID 92840165

IUPAC(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C)O
InChIInChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h8-10,12H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyDTSZTPPMUGNHKT-OUAUKWLOSA-N
MW170.30 g/mol
LogP2.83
Rot. Bonds1

About (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 92840165) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID92840165
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C)O
InChIInChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h8-10,12H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyDTSZTPPMUGNHKT-OUAUKWLOSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol (CID 92840165) is (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C)O.
What is the InChIKey of (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is DTSZTPPMUGNHKT-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h8-10,12H,5-7H2,1-4H3/t9-,10+,11-/m1/s1.
What are the key properties of (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 92840165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).