4-prop-1-en-2-ylcyclohexane-1-carbaldehyde

C10H16O — CID 527108

IUPAC4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1CCC(C=O)CC1
InChIInChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h7,9-10H,1,3-6H2,2H3
InChIKeyAOVAKEPXEOVCEW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde

4-prop-1-en-2-ylcyclohexane-1-carbaldehyde (PubChem CID 527108) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
PubChem CID527108
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1CCC(C=O)CC1
InChIInChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h7,9-10H,1,3-6H2,2H3
InChIKeyAOVAKEPXEOVCEW-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 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde (CID 527108) is 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde is C=C(C)C1CCC(C=O)CC1.
What is the InChIKey of 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is AOVAKEPXEOVCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h7,9-10H,1,3-6H2,2H3.
What are the key properties of 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
4-prop-1-en-2-ylcyclohexane-1-carbaldehyde 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 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 527108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).