2-chloro-14-cyclohexyloxytetradecanal

C20H37ClO2 — CID 91162972

IUPAC2-chloro-14-cyclohexyloxytetradecanal
SMILESO=CC(Cl)CCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C20H37ClO2/c21-19(18-22)14-10-7-5-3-1-2-4-6-8-13-17-23-20-15-11-9-12-16-20/h18-20H,1-17H2
InChIKeyHJABXQSHFGBXKU-UHFFFAOYSA-N
MW344.97 g/mol
LogP6.43
Rot. Bonds15

About 2-chloro-14-cyclohexyloxytetradecanal

2-chloro-14-cyclohexyloxytetradecanal (PubChem CID 91162972) has the molecular formula C20H37ClO2 and a molecular weight of 344.97 g/mol. Its IUPAC name is 2-chloro-14-cyclohexyloxytetradecanal.

Molecular Properties

Compound Name2-chloro-14-cyclohexyloxytetradecanal
PubChem CID91162972
Molecular FormulaC20H37ClO2
Molecular Weight344.97 g/mol
Exact Mass344.25
IUPAC Name2-chloro-14-cyclohexyloxytetradecanal
SMILESO=CC(Cl)CCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C20H37ClO2/c21-19(18-22)14-10-7-5-3-1-2-4-6-8-13-17-23-20-15-11-9-12-16-20/h18-20H,1-17H2
InChIKeyHJABXQSHFGBXKU-UHFFFAOYSA-N
XLogP6.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.97
LogP ≤ 56.43
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-14-cyclohexyloxytetradecanal?
The IUPAC name of 2-chloro-14-cyclohexyloxytetradecanal (CID 91162972) is 2-chloro-14-cyclohexyloxytetradecanal.
What is the SMILES notation for 2-chloro-14-cyclohexyloxytetradecanal?
The canonical SMILES for 2-chloro-14-cyclohexyloxytetradecanal is O=CC(Cl)CCCCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 2-chloro-14-cyclohexyloxytetradecanal?
The InChIKey is HJABXQSHFGBXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37ClO2/c21-19(18-22)14-10-7-5-3-1-2-4-6-8-13-17-23-20-15-11-9-12-16-20/h18-20H,1-17H2.
What are the key properties of 2-chloro-14-cyclohexyloxytetradecanal?
2-chloro-14-cyclohexyloxytetradecanal has a molecular weight of 344.97 g/mol, XLogP of 6.43, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-14-cyclohexyloxytetradecanal is sourced from PubChem (CID 91162972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).