10-cyclohexyloxy-2-(dichloromethyl)decanal

C17H30Cl2O2 — CID 91249798

IUPAC10-cyclohexyloxy-2-(dichloromethyl)decanal
SMILESO=CC(CCCCCCCCOC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C17H30Cl2O2/c18-17(19)15(14-20)10-6-3-1-2-4-9-13-21-16-11-7-5-8-12-16/h14-17H,1-13H2
InChIKeyQXCIABUQLAXVQL-UHFFFAOYSA-N
MW337.33 g/mol
LogP5.69
Rot. Bonds12

About 10-cyclohexyloxy-2-(dichloromethyl)decanal

10-cyclohexyloxy-2-(dichloromethyl)decanal (PubChem CID 91249798) has the molecular formula C17H30Cl2O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 10-cyclohexyloxy-2-(dichloromethyl)decanal.

Molecular Properties

Compound Name10-cyclohexyloxy-2-(dichloromethyl)decanal
PubChem CID91249798
Molecular FormulaC17H30Cl2O2
Molecular Weight337.33 g/mol
Exact Mass336.16
IUPAC Name10-cyclohexyloxy-2-(dichloromethyl)decanal
SMILESO=CC(CCCCCCCCOC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C17H30Cl2O2/c18-17(19)15(14-20)10-6-3-1-2-4-9-13-21-16-11-7-5-8-12-16/h14-17H,1-13H2
InChIKeyQXCIABUQLAXVQL-UHFFFAOYSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.33
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-cyclohexyloxy-2-ethylbutanal
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4-cyclohexyloxy-2-nitrobutanal
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5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyloxy-2-(dichloromethyl)decanal?
The IUPAC name of 10-cyclohexyloxy-2-(dichloromethyl)decanal (CID 91249798) is 10-cyclohexyloxy-2-(dichloromethyl)decanal.
What is the SMILES notation for 10-cyclohexyloxy-2-(dichloromethyl)decanal?
The canonical SMILES for 10-cyclohexyloxy-2-(dichloromethyl)decanal is O=CC(CCCCCCCCOC1CCCCC1)C(Cl)Cl.
What is the InChIKey of 10-cyclohexyloxy-2-(dichloromethyl)decanal?
The InChIKey is QXCIABUQLAXVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Cl2O2/c18-17(19)15(14-20)10-6-3-1-2-4-9-13-21-16-11-7-5-8-12-16/h14-17H,1-13H2.
What are the key properties of 10-cyclohexyloxy-2-(dichloromethyl)decanal?
10-cyclohexyloxy-2-(dichloromethyl)decanal has a molecular weight of 337.33 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyloxy-2-(dichloromethyl)decanal is sourced from PubChem (CID 91249798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).