2-chloro-6-cyclohexyloxyhexanal

C12H21ClO2 — CID 91314676

IUPAC2-chloro-6-cyclohexyloxyhexanal
SMILESO=CC(Cl)CCCCOC1CCCCC1
InChIInChI=1S/C12H21ClO2/c13-11(10-14)6-4-5-9-15-12-7-2-1-3-8-12/h10-12H,1-9H2
InChIKeyTYGMJDZXBFNTAP-UHFFFAOYSA-N
MW232.75 g/mol
LogP3.31
Rot. Bonds7

About 2-chloro-6-cyclohexyloxyhexanal

2-chloro-6-cyclohexyloxyhexanal (PubChem CID 91314676) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-chloro-6-cyclohexyloxyhexanal.

Molecular Properties

Compound Name2-chloro-6-cyclohexyloxyhexanal
PubChem CID91314676
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name2-chloro-6-cyclohexyloxyhexanal
SMILESO=CC(Cl)CCCCOC1CCCCC1
InChIInChI=1S/C12H21ClO2/c13-11(10-14)6-4-5-9-15-12-7-2-1-3-8-12/h10-12H,1-9H2
InChIKeyTYGMJDZXBFNTAP-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.31
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-6-cyclohexyloxyhexanal?
The IUPAC name of 2-chloro-6-cyclohexyloxyhexanal (CID 91314676) is 2-chloro-6-cyclohexyloxyhexanal.
What is the SMILES notation for 2-chloro-6-cyclohexyloxyhexanal?
The canonical SMILES for 2-chloro-6-cyclohexyloxyhexanal is O=CC(Cl)CCCCOC1CCCCC1.
What is the InChIKey of 2-chloro-6-cyclohexyloxyhexanal?
The InChIKey is TYGMJDZXBFNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO2/c13-11(10-14)6-4-5-9-15-12-7-2-1-3-8-12/h10-12H,1-9H2.
What are the key properties of 2-chloro-6-cyclohexyloxyhexanal?
2-chloro-6-cyclohexyloxyhexanal has a molecular weight of 232.75 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclohexyloxyhexanal is sourced from PubChem (CID 91314676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).