5-methylidene-2-propan-2-yloxolan-3-one

C8H12O2 — CID 90444360

IUPAC5-methylidene-2-propan-2-yloxolan-3-one
SMILESC=C1CC(=O)C(C(C)C)O1
InChIInChI=1S/C8H12O2/c1-5(2)8-7(9)4-6(3)10-8/h5,8H,3-4H2,1-2H3
InChIKeyUSPFBNYRMQODBT-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds1

About 5-methylidene-2-propan-2-yloxolan-3-one

5-methylidene-2-propan-2-yloxolan-3-one (PubChem CID 90444360) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-methylidene-2-propan-2-yloxolan-3-one.

Molecular Properties

Compound Name5-methylidene-2-propan-2-yloxolan-3-one
PubChem CID90444360
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-methylidene-2-propan-2-yloxolan-3-one
SMILESC=C1CC(=O)C(C(C)C)O1
InChIInChI=1S/C8H12O2/c1-5(2)8-7(9)4-6(3)10-8/h5,8H,3-4H2,1-2H3
InChIKeyUSPFBNYRMQODBT-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-propan-2-yloxolan-3-one?
The IUPAC name of 5-methylidene-2-propan-2-yloxolan-3-one (CID 90444360) is 5-methylidene-2-propan-2-yloxolan-3-one.
What is the SMILES notation for 5-methylidene-2-propan-2-yloxolan-3-one?
The canonical SMILES for 5-methylidene-2-propan-2-yloxolan-3-one is C=C1CC(=O)C(C(C)C)O1.
What is the InChIKey of 5-methylidene-2-propan-2-yloxolan-3-one?
The InChIKey is USPFBNYRMQODBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5(2)8-7(9)4-6(3)10-8/h5,8H,3-4H2,1-2H3.
What are the key properties of 5-methylidene-2-propan-2-yloxolan-3-one?
5-methylidene-2-propan-2-yloxolan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-propan-2-yloxolan-3-one is sourced from PubChem (CID 90444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).