12-cyclohexyloxy-2-ethyldodecanal

C20H38O2 — CID 91803189

IUPAC12-cyclohexyloxy-2-ethyldodecanal
SMILESCCC(C=O)CCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C20H38O2/c1-2-19(18-21)14-10-7-5-3-4-6-8-13-17-22-20-15-11-9-12-16-20/h18-20H,2-17H2,1H3
InChIKeyYYGYCGBGKKBBQP-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.07
Rot. Bonds14

About 12-cyclohexyloxy-2-ethyldodecanal

12-cyclohexyloxy-2-ethyldodecanal (PubChem CID 91803189) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 12-cyclohexyloxy-2-ethyldodecanal.

Molecular Properties

Compound Name12-cyclohexyloxy-2-ethyldodecanal
PubChem CID91803189
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name12-cyclohexyloxy-2-ethyldodecanal
SMILESCCC(C=O)CCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C20H38O2/c1-2-19(18-21)14-10-7-5-3-4-6-8-13-17-22-20-15-11-9-12-16-20/h18-20H,2-17H2,1H3
InChIKeyYYGYCGBGKKBBQP-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.07
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 12-cyclohexyloxy-2-ethyldodecanal?
The IUPAC name of 12-cyclohexyloxy-2-ethyldodecanal (CID 91803189) is 12-cyclohexyloxy-2-ethyldodecanal.
What is the SMILES notation for 12-cyclohexyloxy-2-ethyldodecanal?
The canonical SMILES for 12-cyclohexyloxy-2-ethyldodecanal is CCC(C=O)CCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 12-cyclohexyloxy-2-ethyldodecanal?
The InChIKey is YYGYCGBGKKBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-2-19(18-21)14-10-7-5-3-4-6-8-13-17-22-20-15-11-9-12-16-20/h18-20H,2-17H2,1H3.
What are the key properties of 12-cyclohexyloxy-2-ethyldodecanal?
12-cyclohexyloxy-2-ethyldodecanal has a molecular weight of 310.52 g/mol, XLogP of 6.07, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexyloxy-2-ethyldodecanal is sourced from PubChem (CID 91803189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).