2-chloro-10-cyclohexyloxydecanal

C16H29ClO2 — CID 91201541

IUPAC2-chloro-10-cyclohexyloxydecanal
SMILESO=CC(Cl)CCCCCCCCOC1CCCCC1
InChIInChI=1S/C16H29ClO2/c17-15(14-18)10-6-3-1-2-4-9-13-19-16-11-7-5-8-12-16/h14-16H,1-13H2
InChIKeyGUCIUMICZUTIQS-UHFFFAOYSA-N
MW288.86 g/mol
LogP4.87
Rot. Bonds11

About 2-chloro-10-cyclohexyloxydecanal

2-chloro-10-cyclohexyloxydecanal (PubChem CID 91201541) has the molecular formula C16H29ClO2 and a molecular weight of 288.86 g/mol. Its IUPAC name is 2-chloro-10-cyclohexyloxydecanal.

Molecular Properties

Compound Name2-chloro-10-cyclohexyloxydecanal
PubChem CID91201541
Molecular FormulaC16H29ClO2
Molecular Weight288.86 g/mol
Exact Mass288.19
IUPAC Name2-chloro-10-cyclohexyloxydecanal
SMILESO=CC(Cl)CCCCCCCCOC1CCCCC1
InChIInChI=1S/C16H29ClO2/c17-15(14-18)10-6-3-1-2-4-9-13-19-16-11-7-5-8-12-16/h14-16H,1-13H2
InChIKeyGUCIUMICZUTIQS-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-cyclohexyloxydecanal?
The IUPAC name of 2-chloro-10-cyclohexyloxydecanal (CID 91201541) is 2-chloro-10-cyclohexyloxydecanal.
What is the SMILES notation for 2-chloro-10-cyclohexyloxydecanal?
The canonical SMILES for 2-chloro-10-cyclohexyloxydecanal is O=CC(Cl)CCCCCCCCOC1CCCCC1.
What is the InChIKey of 2-chloro-10-cyclohexyloxydecanal?
The InChIKey is GUCIUMICZUTIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClO2/c17-15(14-18)10-6-3-1-2-4-9-13-19-16-11-7-5-8-12-16/h14-16H,1-13H2.
What are the key properties of 2-chloro-10-cyclohexyloxydecanal?
2-chloro-10-cyclohexyloxydecanal has a molecular weight of 288.86 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-cyclohexyloxydecanal is sourced from PubChem (CID 91201541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).