2-(4-methylcyclohex-3-en-1-yl)prop-2-enal

C10H14O — CID 10080561

IUPAC2-(4-methylcyclohex-3-en-1-yl)prop-2-enal
SMILESC=C(C=O)C1CC=C(C)CC1
InChIInChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,2,4-6H2,1H3
InChIKeySKLHKDRZYVWVQX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds2

About 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal

2-(4-methylcyclohex-3-en-1-yl)prop-2-enal (PubChem CID 10080561) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)prop-2-enal
PubChem CID10080561
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)prop-2-enal
SMILESC=C(C=O)C1CC=C(C)CC1
InChIInChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,2,4-6H2,1H3
InChIKeySKLHKDRZYVWVQX-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal (CID 10080561) is 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal is C=C(C=O)C1CC=C(C)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal?
The InChIKey is SKLHKDRZYVWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,2,4-6H2,1H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)prop-2-enal?
2-(4-methylcyclohex-3-en-1-yl)prop-2-enal has a molecular weight of 150.22 g/mol, XLogP of 2.49, 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)prop-2-enal is sourced from PubChem (CID 10080561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).