1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone

C10H18O4 — CID 135036879

IUPAC1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone
SMILESCCCC[C@H]1OC(OC)O[C@@H]1C(C)=O
InChIInChI=1S/C10H18O4/c1-4-5-6-8-9(7(2)11)14-10(12-3)13-8/h8-10H,4-6H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyBVIYROMXNQGIQO-MGRQHWMJSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds5

About 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone

1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone (PubChem CID 135036879) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone
PubChem CID135036879
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone
SMILESCCCC[C@H]1OC(OC)O[C@@H]1C(C)=O
InChIInChI=1S/C10H18O4/c1-4-5-6-8-9(7(2)11)14-10(12-3)13-8/h8-10H,4-6H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyBVIYROMXNQGIQO-MGRQHWMJSA-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

3-(Ethoxymethoxy)octan-2-one
CID 88003595
1-[(4S,5R)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 121224825
4-(2-Methyl-1,3-dioxolan-2-yl)-1-[(2rs,3sr)-3-methyloxiranyl]butan-1-one
CID 129738592
5-[3-(Methoxymethoxy)propyl]oxolan-3-one
CID 134859900
2-Hexadecanone, 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-
CID 537250
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-2-heptadecanone
CID 538731
1-[(4R,5R)-2,2-dimethyl-5-octanoyl-1,3-dioxolan-4-yl]octan-1-one
CID 11602827
1-[(4R,5R)-5-decanoyl-2,2-dimethyl-1,3-dioxolan-4-yl]decan-1-one
CID 15384969
2,3-Bis(methoxymethoxy)cyclodecan-1-one
CID 22319877
Ethyl 6-(2-methyl-1,3-dioxolan-2-yl)-2-oxohexanoate
CID 54338329
methyl 7-[(4S,5S)-5-hept-2-ynoyl-2-oxo-1,3-dioxolan-4-yl]heptanoate
CID 54425324
(+/-)-6-(2,2-Dimethyl-5-oxo-[1,3]dioxolan-4-yl)hexanoic acid methyl ester
CID 59316151

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone (CID 135036879) is 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone is CCCC[C@H]1OC(OC)O[C@@H]1C(C)=O.
What is the InChIKey of 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone?
The InChIKey is BVIYROMXNQGIQO-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-5-6-8-9(7(2)11)14-10(12-3)13-8/h8-10H,4-6H2,1-3H3/t8-,9-,10?/m1/s1.
What are the key properties of 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone?
1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone 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 1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 135036879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).