4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane

C32H64O2 — CID 140856842

IUPAC4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane
SMILESCCCCC(CC)CC(CC)CC(CC)C1OCC(CC)(CC(CC)CC(CC)CCCC)O1
InChIInChI=1S/C32H64O2/c1-9-17-19-26(11-3)21-28(13-5)23-30(15-7)31-33-25-32(16-8,34-31)24-29(14-6)22-27(12-4)20-18-10-2/h26-31H,9-25H2,1-8H3
InChIKeyNUUYPZPZTOHVKQ-UHFFFAOYSA-N
MW480.86 g/mol
LogP10.58
Rot. Bonds21

About 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane

4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane (PubChem CID 140856842) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane
PubChem CID140856842
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Name4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane
SMILESCCCCC(CC)CC(CC)CC(CC)C1OCC(CC)(CC(CC)CC(CC)CCCC)O1
InChIInChI=1S/C32H64O2/c1-9-17-19-26(11-3)21-28(13-5)23-30(15-7)31-33-25-32(16-8,34-31)24-29(14-6)22-27(12-4)20-18-10-2/h26-31H,9-25H2,1-8H3
InChIKeyNUUYPZPZTOHVKQ-UHFFFAOYSA-N
XLogP10.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane with MolForge

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Related Compounds

(5S)-3,5-diethylnonane;methane
CID 159387669
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5,8,10-triethylpentadecane
CID 123791231
(5-carboxyoxy-2-heptan-3-yl-1,3-dioxan-5-yl) hydrogen carbonate
CID 23199352
2-(2-ethylhexyl)oxetane
CID 158420180
1-bromo-2-(bromomethyl)-4-ethyloctane
CID 79453093
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane?
The IUPAC name of 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane (CID 140856842) is 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane?
The canonical SMILES for 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane is CCCCC(CC)CC(CC)CC(CC)C1OCC(CC)(CC(CC)CC(CC)CCCC)O1.
What is the InChIKey of 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane?
The InChIKey is NUUYPZPZTOHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-9-17-19-26(11-3)21-28(13-5)23-30(15-7)31-33-25-32(16-8,34-31)24-29(14-6)22-27(12-4)20-18-10-2/h26-31H,9-25H2,1-8H3.
What are the key properties of 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane?
4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane has a molecular weight of 480.86 g/mol, XLogP of 10.58, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane is sourced from PubChem (CID 140856842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).