5-butyl-5,6-diethoxytetradecane

C22H46O2 — CID 150193114

IUPAC5-butyl-5,6-diethoxytetradecane
SMILESCCCCCCCCC(OCC)C(CCCC)(CCCC)OCC
InChIInChI=1S/C22H46O2/c1-6-11-14-15-16-17-18-21(23-9-4)22(24-10-5,19-12-7-2)20-13-8-3/h21H,6-20H2,1-5H3
InChIKeyFNWBYSPNJVWFSK-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.30
Rot. Bonds18

About 5-butyl-5,6-diethoxytetradecane

5-butyl-5,6-diethoxytetradecane (PubChem CID 150193114) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 5-butyl-5,6-diethoxytetradecane.

Molecular Properties

Compound Name5-butyl-5,6-diethoxytetradecane
PubChem CID150193114
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Name5-butyl-5,6-diethoxytetradecane
SMILESCCCCCCCCC(OCC)C(CCCC)(CCCC)OCC
InChIInChI=1S/C22H46O2/c1-6-11-14-15-16-17-18-21(23-9-4)22(24-10-5,19-12-7-2)20-13-8-3/h21H,6-20H2,1-5H3
InChIKeyFNWBYSPNJVWFSK-UHFFFAOYSA-N
XLogP7.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7,8-diethoxy-7-hexylhexadecane
CID 151716164
(3-ethoxy-2-methylnonan-2-yl)silane
CID 173242483
2,3,4,5,6-pentaethoxy-1-(1,1,2-triethoxyhexadecyl)pyridin-1-ium
CID 19824433
1,1,2-triethoxyheptoxycarbonyloxy 1,1,2-triethoxyheptyl carbonate
CID 88505275
5,5-diethoxy-6-ethyltetradecane
CID 150494826
1,1,2,2,3-pentaethoxydecyl hydrogen sulfate
CID 88642884
9-ethoxyoctadecane
CID 87148376
3-ethoxy-2-methyldodecane
CID 78302637
2-ethoxytridecane
CID 54143367
4,4-diethoxy-5-propyltridecane
CID 152734568
2-decoxy-1,1,1-tripropoxydecane
CID 161487302
2-ethoxy-3-methoxynonane
CID 175129428

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5,6-diethoxytetradecane?
The IUPAC name of 5-butyl-5,6-diethoxytetradecane (CID 150193114) is 5-butyl-5,6-diethoxytetradecane.
What is the SMILES notation for 5-butyl-5,6-diethoxytetradecane?
The canonical SMILES for 5-butyl-5,6-diethoxytetradecane is CCCCCCCCC(OCC)C(CCCC)(CCCC)OCC.
What is the InChIKey of 5-butyl-5,6-diethoxytetradecane?
The InChIKey is FNWBYSPNJVWFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-6-11-14-15-16-17-18-21(23-9-4)22(24-10-5,19-12-7-2)20-13-8-3/h21H,6-20H2,1-5H3.
What are the key properties of 5-butyl-5,6-diethoxytetradecane?
5-butyl-5,6-diethoxytetradecane has a molecular weight of 342.61 g/mol, XLogP of 7.30, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5,6-diethoxytetradecane is sourced from PubChem (CID 150193114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).