2-ethenylcyclohexene-1-carbaldehyde

C9H12O — CID 11378520

IUPAC2-ethenylcyclohexene-1-carbaldehyde
SMILESC=CC1=C(C=O)CCCC1
InChIInChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h2,7H,1,3-6H2
InChIKeyMKSPICMHOAGUQT-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.24
Rot. Bonds2

About 2-ethenylcyclohexene-1-carbaldehyde

2-ethenylcyclohexene-1-carbaldehyde (PubChem CID 11378520) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-ethenylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-ethenylcyclohexene-1-carbaldehyde
PubChem CID11378520
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-ethenylcyclohexene-1-carbaldehyde
SMILESC=CC1=C(C=O)CCCC1
InChIInChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h2,7H,1,3-6H2
InChIKeyMKSPICMHOAGUQT-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylcyclohexene-1-carbaldehyde?
The IUPAC name of 2-ethenylcyclohexene-1-carbaldehyde (CID 11378520) is 2-ethenylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-ethenylcyclohexene-1-carbaldehyde?
The canonical SMILES for 2-ethenylcyclohexene-1-carbaldehyde is C=CC1=C(C=O)CCCC1.
What is the InChIKey of 2-ethenylcyclohexene-1-carbaldehyde?
The InChIKey is MKSPICMHOAGUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h2,7H,1,3-6H2.
What are the key properties of 2-ethenylcyclohexene-1-carbaldehyde?
2-ethenylcyclohexene-1-carbaldehyde has a molecular weight of 136.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 11378520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).