cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde

C9H16O — CID 125425466

IUPACcis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde
SMILESCCC[C@H](C)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C9H16O/c1-3-4-7(2)9-5-8(9)6-10/h6-9H,3-5H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyHIZSMNGBBXFCKE-CIUDSAMLSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds4

About cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde

cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde (PubChem CID 125425466) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde
PubChem CID125425466
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namecis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde
SMILESCCC[C@H](C)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C9H16O/c1-3-4-7(2)9-5-8(9)6-10/h6-9H,3-5H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyHIZSMNGBBXFCKE-CIUDSAMLSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
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-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde
CID 124564061
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
N-(3-butan-2-yl-4-formylcyclohexyl)formamide
CID 88914681
cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde
CID 45083538
4-[2-(2-formylcyclopropyl)pentyl]benzonitrile
CID 163430479
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
N,2-dimethyl-3-pentan-2-ylcyclopentan-1-amine
CID 107888213
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334
1-ethyl-2-[(2-pentan-2-ylcyclopropyl)methyl]cyclopropane
CID 123666565

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde (CID 125425466) is cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde is CCC[C@H](C)[C@@H]1C[C@H]1C=O.
What is the InChIKey of cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde?
The InChIKey is HIZSMNGBBXFCKE-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-7(2)9-5-8(9)6-10/h6-9H,3-5H2,1-2H3/t7-,8-,9-/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde?
cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde has a molecular weight of 140.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 125425466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).