4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one

C7H10O3 — CID 57483318

IUPAC4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C(C)C
InChIInChI=1S/C7H10O3/c1-4(2)6-5(3)9-7(8)10-6/h4,6H,3H2,1-2H3
InChIKeySCQPNTUABNZVHE-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.69
Rot. Bonds1

About 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one

4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one (PubChem CID 57483318) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one
PubChem CID57483318
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C(C)C
InChIInChI=1S/C7H10O3/c1-4(2)6-5(3)9-7(8)10-6/h4,6H,3H2,1-2H3
InChIKeySCQPNTUABNZVHE-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-4-methyl-5-methylene-1,3-dioxolan-2-one
CID 544710
4-Methyl-5-methylene-1,3-dioxolan-2-one
CID 13573812
(5R)-5-ethenyl-4,4-dimethyl-1,3-dioxolan-2-one
CID 134967507
(4S,5R)-4-ethenyl-5-propan-2-yl-1,3-dioxolan-2-one
CID 101776260
4-Ethyl-5-methylidene-1,3-dioxolan-2-one
CID 12195928
4-Prop-1-en-2-yl-1,3-dioxolan-2-one
CID 15168339
4-Methylidene-5-propyl-1,3-dioxolan-2-one
CID 57483319
4-Cyclopropyl-5-methylidene-1,3-dioxolan-2-one
CID 89425106
4-But-3-en-2-yl-5-methylidene-1,3-dioxolan-2-one
CID 89425136
4-Methylidene-5-pentan-2-yl-1,3-dioxolan-2-one
CID 129232448
4-Buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one
CID 139423248
(4S)-4-methyl-5-methylidene-1,3-dioxolan-2-one
CID 142342564

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one?
The IUPAC name of 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one (CID 57483318) is 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one?
The canonical SMILES for 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one is C=C1OC(=O)OC1C(C)C.
What is the InChIKey of 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one?
The InChIKey is SCQPNTUABNZVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4(2)6-5(3)9-7(8)10-6/h4,6H,3H2,1-2H3.
What are the key properties of 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one?
4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-propan-2-yl-1,3-dioxolan-2-one is sourced from PubChem (CID 57483318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).