4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one

C12H22O4 — CID 59844685

IUPAC4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one
SMILESCCCCC(CC)COCC1COC(=O)O1
InChIInChI=1S/C12H22O4/c1-3-5-6-10(4-2)7-14-8-11-9-15-12(13)16-11/h10-11H,3-9H2,1-2H3
InChIKeyZAOWKPOZVBIQJB-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.75
Rot. Bonds8

About 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one

4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one (PubChem CID 59844685) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one
PubChem CID59844685
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one
SMILESCCCCC(CC)COCC1COC(=O)O1
InChIInChI=1S/C12H22O4/c1-3-5-6-10(4-2)7-14-8-11-9-15-12(13)16-11/h10-11H,3-9H2,1-2H3
InChIKeyZAOWKPOZVBIQJB-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
2,8-Dimethyl-1,4-dioxaspiro[4.5]decane
CID 221894
Carbonic acid, 2-methoxyethyl 2-ethylhexyl ester
CID 91693768
4-Cyclohexyl-5-methyl-1,3-dioxolan-2-one
CID 117852445
4-Nonan-3-yl-1,3-dioxolan-2-one
CID 155337113
3,8-Dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen
CID 159533649
(4S)-2,2-dimethyl-4-[(6R)-6-methyloctyl]-1,3-dioxolane
CID 11183785
(4S)-2,2-dimethyl-4-[(6R)-6-methylnonyl]-1,3-dioxolane
CID 11470543
4-[[(2-Methoxy-5-methylhexyl)oxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 12201875
4-{[(2-Propylheptyl)oxy]methyl}-1,3-dioxolan-2-one
CID 12988180
4-(Cyclohexylmethoxymethyl)-1,3-dioxolan-2-one
CID 17909893

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one (CID 59844685) is 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one is CCCCC(CC)COCC1COC(=O)O1.
What is the InChIKey of 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is ZAOWKPOZVBIQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-5-6-10(4-2)7-14-8-11-9-15-12(13)16-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one?
4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 230.30 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 59844685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).