3-cyclopropyl-4-methylpentanal

C9H16O — CID 83826246

IUPAC3-cyclopropyl-4-methylpentanal
SMILESCC(C)C(CC=O)C1CC1
InChIInChI=1S/C9H16O/c1-7(2)9(5-6-10)8-3-4-8/h6-9H,3-5H2,1-2H3
InChIKeyMARUOHKHUIHLCR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds4

About 3-cyclopropyl-4-methylpentanal

3-cyclopropyl-4-methylpentanal (PubChem CID 83826246) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-cyclopropyl-4-methylpentanal.

Molecular Properties

Compound Name3-cyclopropyl-4-methylpentanal
PubChem CID83826246
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-cyclopropyl-4-methylpentanal
SMILESCC(C)C(CC=O)C1CC1
InChIInChI=1S/C9H16O/c1-7(2)9(5-6-10)8-3-4-8/h6-9H,3-5H2,1-2H3
InChIKeyMARUOHKHUIHLCR-UHFFFAOYSA-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

1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea
CID 163562120
3-(4-methylcyclohexyl)butanal
CID 21290463
2-cyclopropylbutanedial
CID 141171977
(1R,2R,5S)-2-methyl-5-[(2R)-4-oxobutan-2-yl]cyclohexane-1-carbaldehyde
CID 129386326
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
(2S)-2-cyclopropylpropanal
CID 59475987
3-cyclohex-3-en-1-ylbutanal
CID 87133688
2-cyclopentyl-3-methylbutan-1-ol
CID 23384800
4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde
CID 166932348
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
3-cyclopropyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanal
CID 83833821

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methylpentanal?
The IUPAC name of 3-cyclopropyl-4-methylpentanal (CID 83826246) is 3-cyclopropyl-4-methylpentanal.
What is the SMILES notation for 3-cyclopropyl-4-methylpentanal?
The canonical SMILES for 3-cyclopropyl-4-methylpentanal is CC(C)C(CC=O)C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methylpentanal?
The InChIKey is MARUOHKHUIHLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)9(5-6-10)8-3-4-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-4-methylpentanal?
3-cyclopropyl-4-methylpentanal 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 3-cyclopropyl-4-methylpentanal is sourced from PubChem (CID 83826246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).