(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde

C17H24O — CID 10514464

IUPAC(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](C=O)C1
InChIInChI=1S/C17H24O/c1-13-9-10-16(14(11-13)12-18)17(2,3)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKeyRUCXBFBZNWNABX-IJEWVQPXSA-N
MW244.38 g/mol
LogP4.22
Rot. Bonds3

About (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde

(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde (PubChem CID 10514464) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
PubChem CID10514464
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](C=O)C1
InChIInChI=1S/C17H24O/c1-13-9-10-16(14(11-13)12-18)17(2,3)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKeyRUCXBFBZNWNABX-IJEWVQPXSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
(1S,2S,5S)-5-methyl-2-(2-methyl-1-oxopropan-2-yl)cyclohexane-1-carbaldehyde
CID 140649409
ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene
CID 155710062
2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene
CID 134973601
[(5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2,2-dimethylpropanoate
CID 173009492

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde?
The IUPAC name of (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde (CID 10514464) is (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde?
The canonical SMILES for (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](C=O)C1.
What is the InChIKey of (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde?
The InChIKey is RUCXBFBZNWNABX-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H24O/c1-13-9-10-16(14(11-13)12-18)17(2,3)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3/t13-,14+,16-/m1/s1.
What are the key properties of (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde?
(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde has a molecular weight of 244.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 10514464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).