1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde

C10H15ClO — CID 131232284

IUPAC1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(C/C=C/Cl)CCCCC1
InChIInChI=1S/C10H15ClO/c11-8-4-7-10(9-12)5-2-1-3-6-10/h4,8-9H,1-3,5-7H2/b8-4+
InChIKeyJCSDAULLPBJPOV-XBXARRHUSA-N
MW186.68 g/mol
LogP3.28
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde

1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde (PubChem CID 131232284) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde
PubChem CID131232284
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(C/C=C/Cl)CCCCC1
InChIInChI=1S/C10H15ClO/c11-8-4-7-10(9-12)5-2-1-3-6-10/h4,8-9H,1-3,5-7H2/b8-4+
InChIKeyJCSDAULLPBJPOV-XBXARRHUSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 53.28
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 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde (CID 131232284) is 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde is O=CC1(C/C=C/Cl)CCCCC1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde?
The InChIKey is JCSDAULLPBJPOV-XBXARRHUSA-N. The full InChI is InChI=1S/C10H15ClO/c11-8-4-7-10(9-12)5-2-1-3-6-10/h4,8-9H,1-3,5-7H2/b8-4+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde?
1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde has a molecular weight of 186.68 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 131232284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).