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

C11H18O3 — CID 134949090

IUPAC5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1(CC(C)C)C(C)C
InChIInChI=1S/C11H18O3/c1-7(2)6-11(8(3)4)9(5)13-10(12)14-11/h7-8H,5-6H2,1-4H3
InChIKeyVXSYUVHYVSFPSQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.11
Rot. Bonds3

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

5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one (PubChem CID 134949090) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one
PubChem CID134949090
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1(CC(C)C)C(C)C
InChIInChI=1S/C11H18O3/c1-7(2)6-11(8(3)4)9(5)13-10(12)14-11/h7-8H,5-6H2,1-4H3
InChIKeyVXSYUVHYVSFPSQ-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one?
The IUPAC name of 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one (CID 134949090) is 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one.
What is the SMILES notation for 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one?
The canonical SMILES for 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one is C=C1OC(=O)OC1(CC(C)C)C(C)C.
What is the InChIKey of 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one?
The InChIKey is VXSYUVHYVSFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)6-11(8(3)4)9(5)13-10(12)14-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one?
5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one has a molecular weight of 198.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one is sourced from PubChem (CID 134949090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).