2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde

C14H19ClO2 — CID 174930144

IUPAC2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde
SMILESC=C1CCC=C(Cl)C1O.O=CC1=CCCCC1
InChIInChI=1S/C7H9ClO.C7H10O/c1-5-3-2-4-6(8)7(5)9;8-6-7-4-2-1-3-5-7/h4,7,9H,1-3H2;4,6H,1-3,5H2
InChIKeyKCLKPODRWLZOIS-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.51
Rot. Bonds1

About 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde

2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde (PubChem CID 174930144) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde
PubChem CID174930144
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde
SMILESC=C1CCC=C(Cl)C1O.O=CC1=CCCCC1
InChIInChI=1S/C7H9ClO.C7H10O/c1-5-3-2-4-6(8)7(5)9;8-6-7-4-2-1-3-5-7/h4,7,9H,1-3H2;4,6H,1-3,5H2
InChIKeyKCLKPODRWLZOIS-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde?
The IUPAC name of 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde (CID 174930144) is 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde?
The canonical SMILES for 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde is C=C1CCC=C(Cl)C1O.O=CC1=CCCCC1.
What is the InChIKey of 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde?
The InChIKey is KCLKPODRWLZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO.C7H10O/c1-5-3-2-4-6(8)7(5)9;8-6-7-4-2-1-3-5-7/h4,7,9H,1-3H2;4,6H,1-3,5H2.
What are the key properties of 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde?
2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde has a molecular weight of 254.76 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde is sourced from PubChem (CID 174930144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).