2-(4-methylcyclohex-3-en-1-yl)propanal

C10H16O — CID 520440

IUPAC2-(4-methylcyclohex-3-en-1-yl)propanal
SMILESCC1=CCC(C(C)C=O)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3
InChIKeyUMEJBWOWZDRULR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 2-(4-methylcyclohex-3-en-1-yl)propanal

2-(4-methylcyclohex-3-en-1-yl)propanal (PubChem CID 520440) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propanal.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propanal
PubChem CID520440
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propanal
SMILESCC1=CCC(C(C)C=O)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3
InChIKeyUMEJBWOWZDRULR-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propanal?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propanal (CID 520440) is 2-(4-methylcyclohex-3-en-1-yl)propanal.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propanal?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propanal is CC1=CCC(C(C)C=O)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propanal?
The InChIKey is UMEJBWOWZDRULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propanal?
2-(4-methylcyclohex-3-en-1-yl)propanal has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propanal is sourced from PubChem (CID 520440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).