6-methylidene-4-(2-methylpropyl)oxan-2-one

C10H16O2 — CID 143612858

IUPAC6-methylidene-4-(2-methylpropyl)oxan-2-one
SMILESC=C1CC(CC(C)C)CC(=O)O1
InChIInChI=1S/C10H16O2/c1-7(2)4-9-5-8(3)12-10(11)6-9/h7,9H,3-6H2,1-2H3
InChIKeyMRVWAJBGPOCSCY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.50
Rot. Bonds2

About 6-methylidene-4-(2-methylpropyl)oxan-2-one

6-methylidene-4-(2-methylpropyl)oxan-2-one (PubChem CID 143612858) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-methylidene-4-(2-methylpropyl)oxan-2-one.

Molecular Properties

Compound Name6-methylidene-4-(2-methylpropyl)oxan-2-one
PubChem CID143612858
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-methylidene-4-(2-methylpropyl)oxan-2-one
SMILESC=C1CC(CC(C)C)CC(=O)O1
InChIInChI=1S/C10H16O2/c1-7(2)4-9-5-8(3)12-10(11)6-9/h7,9H,3-6H2,1-2H3
InChIKeyMRVWAJBGPOCSCY-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-(2-methylpropyl)oxan-2-one?
The IUPAC name of 6-methylidene-4-(2-methylpropyl)oxan-2-one (CID 143612858) is 6-methylidene-4-(2-methylpropyl)oxan-2-one.
What is the SMILES notation for 6-methylidene-4-(2-methylpropyl)oxan-2-one?
The canonical SMILES for 6-methylidene-4-(2-methylpropyl)oxan-2-one is C=C1CC(CC(C)C)CC(=O)O1.
What is the InChIKey of 6-methylidene-4-(2-methylpropyl)oxan-2-one?
The InChIKey is MRVWAJBGPOCSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)4-9-5-8(3)12-10(11)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-methylidene-4-(2-methylpropyl)oxan-2-one?
6-methylidene-4-(2-methylpropyl)oxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-(2-methylpropyl)oxan-2-one is sourced from PubChem (CID 143612858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).