cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde

C7H12O — CID 124564061

IUPACcis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde
SMILESCC(C)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C7H12O/c1-5(2)7-3-6(7)4-8/h4-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeySWHZPGHARYLCBR-RNFRBKRXSA-N
MW112.17 g/mol
LogP1.48
Rot. Bonds2

About cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde

cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde (PubChem CID 124564061) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde
PubChem CID124564061
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namecis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde
SMILESCC(C)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C7H12O/c1-5(2)7-3-6(7)4-8/h4-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeySWHZPGHARYLCBR-RNFRBKRXSA-N
XLogP1.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.48
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,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde
CID 45083538
cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde
CID 125425466
3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
CID 101489357
(E)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]prop-2-enal
CID 131236652
4-hydroxy-7-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1-carbaldehyde
CID 163067243
(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
CID 164960438
(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroindene-1-carbaldehyde
CID 163049287
2,3-dimethylcyclobutane-1-carbaldehyde
CID 54074602
trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde (CID 124564061) is cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde is CC(C)[C@H]1C[C@@H]1C=O.
What is the InChIKey of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde?
The InChIKey is SWHZPGHARYLCBR-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12O/c1-5(2)7-3-6(7)4-8/h4-7H,3H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde has a molecular weight of 112.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 124564061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).