cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde

C9H16O — CID 131195965

IUPACcis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
SMILESC[C@H]1CCCC[C@@]1(C)C=O
InChIInChI=1S/C9H16O/c1-8-5-3-4-6-9(8,2)7-10/h7-8H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyBHSVGKVNEZMXLP-IUCAKERBSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds1

About cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde

cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde (PubChem CID 131195965) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
PubChem CID131195965
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namecis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
SMILESC[C@H]1CCCC[C@@]1(C)C=O
InChIInChI=1S/C9H16O/c1-8-5-3-4-6-9(8,2)7-10/h7-8H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyBHSVGKVNEZMXLP-IUCAKERBSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
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

1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
2-formyl-2-methylcyclohexane-1-carbonitrile
CID 134571116
1-methoxy-2-methylcyclohexane-1-carbaldehyde
CID 130743446
cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
CID 12962870
trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718
(9R)-9-methylspiro[3.5]nonane
CID 140885739
1,1,2-trimethylcycloundecane
CID 544748
1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 63688368
(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde
CID 89295257
2-methyl-1-propoxycyclohexane-1-carbaldehyde
CID 165494983
methanol;1,1,2-trimethylcyclohexane
CID 70292509
CID 173459900
CID 173459900

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde (CID 131195965) is cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde is C[C@H]1CCCC[C@@]1(C)C=O.
What is the InChIKey of cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde?
The InChIKey is BHSVGKVNEZMXLP-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O/c1-8-5-3-4-6-9(8,2)7-10/h7-8H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde?
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde has a molecular weight of 140.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 131195965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).