(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde

C11H20O — CID 11252239

IUPAC(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C=O
InChIInChI=1S/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h7-11H,4-6H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyAUABNXZOGNPUSY-VWYCJHECSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds2

About (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde

(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde (PubChem CID 11252239) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde
PubChem CID11252239
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C=O
InChIInChI=1S/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h7-11H,4-6H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyAUABNXZOGNPUSY-VWYCJHECSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde (CID 11252239) is (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C=O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is AUABNXZOGNPUSY-VWYCJHECSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h7-11H,4-6H2,1-3H3/t9-,10+,11+/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde?
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 168.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 11252239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).