4-(2,5-dimethoxyoxolan-2-yl)butan-2-one

C10H18O4 — CID 44719217

IUPAC4-(2,5-dimethoxyoxolan-2-yl)butan-2-one
SMILESCOC1CCC(CCC(C)=O)(OC)O1
InChIInChI=1S/C10H18O4/c1-8(11)4-6-10(13-3)7-5-9(12-2)14-10/h9H,4-7H2,1-3H3
InChIKeyNKEFTKHYTDUJDY-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds5

About 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one

4-(2,5-dimethoxyoxolan-2-yl)butan-2-one (PubChem CID 44719217) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(2,5-dimethoxyoxolan-2-yl)butan-2-one
PubChem CID44719217
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-(2,5-dimethoxyoxolan-2-yl)butan-2-one
SMILESCOC1CCC(CCC(C)=O)(OC)O1
InChIInChI=1S/C10H18O4/c1-8(11)4-6-10(13-3)7-5-9(12-2)14-10/h9H,4-7H2,1-3H3
InChIKeyNKEFTKHYTDUJDY-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Diethoxynonan-4-one
CID 12538108
7-(1,3-Dioxolan-2-yl)heptan-2-one
CID 13029108
1-(1,3-Dioxolan-2-yl)-3-nonanone
CID 14108506
(5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one
CID 57326348
3-(2,5-Dimethoxy-tetrahydro-furan-2-yl)-propionic acid methyl ester
CID 102567646
(5R)-1,12-dioxaspiro[4.7]dodecan-8-one
CID 139254040
10-(2-Ethyl-1,3-dioxolan-2-yl)decane-2,4-dione
CID 300422
11-(Methoxymethoxy)undecan-5-one
CID 10878967
11-(Methoxymethoxy)undecan-2-one
CID 10955382
1-(2,5-Dimethoxyoxolan-2-yl)heptadecan-1-one
CID 14204943
7-(2-Methyl-1,3-dioxolan-2-yl)heptan-2-one
CID 14905220
1-(2,5-Dimethoxyoxolan-2-yl)pentan-1-one
CID 15721336

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one?
The IUPAC name of 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one (CID 44719217) is 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one.
What is the SMILES notation for 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one?
The canonical SMILES for 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one is COC1CCC(CCC(C)=O)(OC)O1.
What is the InChIKey of 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one?
The InChIKey is NKEFTKHYTDUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(11)4-6-10(13-3)7-5-9(12-2)14-10/h9H,4-7H2,1-3H3.
What are the key properties of 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one?
4-(2,5-dimethoxyoxolan-2-yl)butan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyoxolan-2-yl)butan-2-one is sourced from PubChem (CID 44719217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).