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

C6H10O — CID 12962870

IUPACcis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
SMILESC[C@H]1C[C@@]1(C)C=O
InChIInChI=1S/C6H10O/c1-5-3-6(5,2)4-7/h4-5H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyOHFSZUCYHXAZPX-WDSKDSINSA-N
MW98.14 g/mol
LogP1.23
Rot. Bonds1

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

cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde (PubChem CID 12962870) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
PubChem CID12962870
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namecis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
SMILESC[C@H]1C[C@@]1(C)C=O
InChIInChI=1S/C6H10O/c1-5-3-6(5,2)4-7/h4-5H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyOHFSZUCYHXAZPX-WDSKDSINSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.23
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

cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
cis-(1S,3S)-1,3-dimethyl-4-oxocyclopentane-1-carbaldehyde
CID 99995687
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
2-methylcyclopropane-1,1-diol
CID 68932442
2,3,4,4-tetramethylcyclopentane-1-carbaldehyde
CID 74070507
1-methyl-2-(2-phenylethynyl)cyclopropane-1-carbaldehyde
CID 130026200
2,4-dimethylpyrrolidine-2-carbaldehyde
CID 174809665
1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde
CID 126997189
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
CID 162401464
CID 162401464
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde (CID 12962870) is cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde is C[C@H]1C[C@@]1(C)C=O.
What is the InChIKey of cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde?
The InChIKey is OHFSZUCYHXAZPX-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O/c1-5-3-6(5,2)4-7/h4-5H,3H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde?
cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde has a molecular weight of 98.14 g/mol, XLogP of 1.23, 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-dimethylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 12962870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).