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

C30H60O3 — CID 139148735

IUPAC(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/3C10H20O/c3*1-7(2)9-5-4-8(3)6-10(9)11/h3*7-11H,4-6H2,1-3H3/t3*8-,9+,10-/m111/s1
InChIKeyYRMOIGSIMJHLPF-DNEYWGLRSA-N
MW468.81 g/mol
LogP7.32
Rot. Bonds3

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

(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 139148735) has the molecular formula C30H60O3 and a molecular weight of 468.81 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID139148735
Molecular FormulaC30H60O3
Molecular Weight468.81 g/mol
Exact Mass468.45
IUPAC Name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/3C10H20O/c3*1-7(2)9-5-4-8(3)6-10(9)11/h3*7-11H,4-6H2,1-3H3/t3*8-,9+,10-/m111/s1
InChIKeyYRMOIGSIMJHLPF-DNEYWGLRSA-N
XLogP7.32
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 57.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 139148735) is (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is YRMOIGSIMJHLPF-DNEYWGLRSA-N. The full InChI is InChI=1S/3C10H20O/c3*1-7(2)9-5-4-8(3)6-10(9)11/h3*7-11H,4-6H2,1-3H3/t3*8-,9+,10-/m111/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 468.81 g/mol, XLogP of 7.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 139148735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).