2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

C15H26O2 — CID 174374906

IUPAC2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCCCCCCOC1=CC(C)(C)CCC1C=O
InChIInChI=1S/C15H26O2/c1-4-5-6-7-10-17-14-11-15(2,3)9-8-13(14)12-16/h11-13H,4-10H2,1-3H3
InChIKeyJCGRXMXBQFPRRI-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.10
Rot. Bonds7

About 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (PubChem CID 174374906) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
PubChem CID174374906
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCCCCCCOC1=CC(C)(C)CCC1C=O
InChIInChI=1S/C15H26O2/c1-4-5-6-7-10-17-14-11-15(2,3)9-8-13(14)12-16/h11-13H,4-10H2,1-3H3
InChIKeyJCGRXMXBQFPRRI-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.10
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (CID 174374906) is 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is CCCCCCOC1=CC(C)(C)CCC1C=O.
What is the InChIKey of 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is JCGRXMXBQFPRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-10-17-14-11-15(2,3)9-8-13(14)12-16/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 238.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174374906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).