(4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one

C7H10O3 — CID 729241

IUPAC(4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)O[C@@]1(C)CC
InChIInChI=1S/C7H10O3/c1-4-7(3)5(2)9-6(8)10-7/h2,4H2,1,3H3/t7-/m0/s1
InChIKeyNZNQXRMOAPYWRJ-ZETCQYMHSA-N
MW142.15 g/mol
LogP1.84
Rot. Bonds1

About (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one

(4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one (PubChem CID 729241) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
PubChem CID729241
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)O[C@@]1(C)CC
InChIInChI=1S/C7H10O3/c1-4-7(3)5(2)9-6(8)10-7/h2,4H2,1,3H3/t7-/m0/s1
InChIKeyNZNQXRMOAPYWRJ-ZETCQYMHSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one (CID 729241) is (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)O[C@@]1(C)CC.
What is the InChIKey of (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is NZNQXRMOAPYWRJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-7(3)5(2)9-6(8)10-7/h2,4H2,1,3H3/t7-/m0/s1.
What are the key properties of (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
(4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 729241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).