5,5-diethoxy-6-ethyltetradecane

C20H42O2 — CID 150494826

IUPAC5,5-diethoxy-6-ethyltetradecane
SMILESCCCCCCCCC(CC)C(CCCC)(OCC)OCC
InChIInChI=1S/C20H42O2/c1-6-11-13-14-15-16-17-19(8-3)20(21-9-4,22-10-5)18-12-7-2/h19H,6-18H2,1-5H3
InChIKeyHWOITRPEMGSQQH-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.72
Rot. Bonds16

About 5,5-diethoxy-6-ethyltetradecane

5,5-diethoxy-6-ethyltetradecane (PubChem CID 150494826) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 5,5-diethoxy-6-ethyltetradecane.

Molecular Properties

Compound Name5,5-diethoxy-6-ethyltetradecane
PubChem CID150494826
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name5,5-diethoxy-6-ethyltetradecane
SMILESCCCCCCCCC(CC)C(CCCC)(OCC)OCC
InChIInChI=1S/C20H42O2/c1-6-11-13-14-15-16-17-19(8-3)20(21-9-4,22-10-5)18-12-7-2/h19H,6-18H2,1-5H3
InChIKeyHWOITRPEMGSQQH-UHFFFAOYSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-diethoxy-5-propyltridecane
CID 152734568
(2,2-diethoxy-3-ethylundecyl)benzene
CID 151495394
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
3-(trimethoxymethyl)undecane
CID 150552650
4-(1,1-diethoxypropyl)dodecyl-diethylphosphane
CID 152691310
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
4,4-dimethoxy-5-propyltridecane
CID 151317508
(6-ethyl-5-propylundecan-5-yl) dihydrogen phosphate
CID 87344342
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
5,5-dibutyl-6-propyltetradecane
CID 151501472

Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxy-6-ethyltetradecane?
The IUPAC name of 5,5-diethoxy-6-ethyltetradecane (CID 150494826) is 5,5-diethoxy-6-ethyltetradecane.
What is the SMILES notation for 5,5-diethoxy-6-ethyltetradecane?
The canonical SMILES for 5,5-diethoxy-6-ethyltetradecane is CCCCCCCCC(CC)C(CCCC)(OCC)OCC.
What is the InChIKey of 5,5-diethoxy-6-ethyltetradecane?
The InChIKey is HWOITRPEMGSQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-6-11-13-14-15-16-17-19(8-3)20(21-9-4,22-10-5)18-12-7-2/h19H,6-18H2,1-5H3.
What are the key properties of 5,5-diethoxy-6-ethyltetradecane?
5,5-diethoxy-6-ethyltetradecane has a molecular weight of 314.55 g/mol, XLogP of 6.72, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxy-6-ethyltetradecane is sourced from PubChem (CID 150494826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).