(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one

C10H14O4 — CID 102089775

IUPAC(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CCC2OCCO2)C(=O)O1
InChIInChI=1S/C10H14O4/c1-7-6-8(10(11)14-7)2-3-9-12-4-5-13-9/h6-7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyPVNMXHAGDNYSQF-ZETCQYMHSA-N
MW198.22 g/mol
LogP1.01
Rot. Bonds3

About (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one

(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one (PubChem CID 102089775) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one
PubChem CID102089775
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CCC2OCCO2)C(=O)O1
InChIInChI=1S/C10H14O4/c1-7-6-8(10(11)14-7)2-3-9-12-4-5-13-9/h6-7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyPVNMXHAGDNYSQF-ZETCQYMHSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1,3-Dioxolan-2-yl)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 10705326
3-[2-(1,3-dioxolan-2-yl)ethyl]-2H-furan-5-one
CID 86176939
3-(1,3-dioxolan-2-yl)-4-methyl-2-prop-2-enyl-2H-furan-5-one
CID 21037698
6-O-(2-methylbut-2-enoyl) 1-O-(oxolan-2-ylmethyl) 2-methylhex-2-enedioate
CID 123810700
5-(Ethoxymethoxymethyl)-3-methylideneoxolan-2-one
CID 130375953
5-(Methoxymethoxymethyl)-3-methylideneoxolan-2-one
CID 130375954
(4-Methylidene-5-oxooxolan-2-yl)methoxymethyl acetate
CID 130375955
(3E)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]oxan-2-one
CID 10081900
(3Z)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]oxan-2-one
CID 10353128
(3E)-5-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propylidene]oxolan-2-one
CID 10680743
dimethyl (E)-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-iodobut-2-enedioate
CID 11176153
Methyl 4-(1,3-dioxolan-2-yl)-2-methylidenebutanoate
CID 11275451

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one (CID 102089775) is (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one is C[C@H]1C=C(CCC2OCCO2)C(=O)O1.
What is the InChIKey of (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one?
The InChIKey is PVNMXHAGDNYSQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14O4/c1-7-6-8(10(11)14-7)2-3-9-12-4-5-13-9/h6-7,9H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one?
(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one has a molecular weight of 198.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 102089775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).