(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol

C11H22O — CID 121406246

IUPAC(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)C[C@@H]1C[C@@H](C)C[C@H](O)C1
InChIInChI=1S/C11H22O/c1-8(2)4-10-5-9(3)6-11(12)7-10/h8-12H,4-7H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyXZSFVTPVCPMELH-MXWKQRLJSA-N
MW170.30 g/mol
LogP2.83
Rot. Bonds2

About (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol

(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 121406246) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
PubChem CID121406246
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)C[C@@H]1C[C@@H](C)C[C@H](O)C1
InChIInChI=1S/C11H22O/c1-8(2)4-10-5-9(3)6-11(12)7-10/h8-12H,4-7H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyXZSFVTPVCPMELH-MXWKQRLJSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol (CID 121406246) is (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol is CC(C)C[C@@H]1C[C@@H](C)C[C@H](O)C1.
What is the InChIKey of (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is XZSFVTPVCPMELH-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)4-10-5-9(3)6-11(12)7-10/h8-12H,4-7H2,1-3H3/t9-,10-,11+/m1/s1.
What are the key properties of (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol?
(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 121406246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).