3-butan-2-yl-6-methylideneoxan-2-one

C10H16O2 — CID 10374821

IUPAC3-butan-2-yl-6-methylideneoxan-2-one
SMILESC=C1CCC(C(C)CC)C(=O)O1
InChIInChI=1S/C10H16O2/c1-4-7(2)9-6-5-8(3)12-10(9)11/h7,9H,3-6H2,1-2H3
InChIKeyZFRQMHWYYUKHSV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.50
Rot. Bonds2

About 3-butan-2-yl-6-methylideneoxan-2-one

3-butan-2-yl-6-methylideneoxan-2-one (PubChem CID 10374821) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-butan-2-yl-6-methylideneoxan-2-one.

Molecular Properties

Compound Name3-butan-2-yl-6-methylideneoxan-2-one
PubChem CID10374821
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-butan-2-yl-6-methylideneoxan-2-one
SMILESC=C1CCC(C(C)CC)C(=O)O1
InChIInChI=1S/C10H16O2/c1-4-7(2)9-6-5-8(3)12-10(9)11/h7,9H,3-6H2,1-2H3
InChIKeyZFRQMHWYYUKHSV-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 3-butan-2-yl-6-methylideneoxan-2-one?
The IUPAC name of 3-butan-2-yl-6-methylideneoxan-2-one (CID 10374821) is 3-butan-2-yl-6-methylideneoxan-2-one.
What is the SMILES notation for 3-butan-2-yl-6-methylideneoxan-2-one?
The canonical SMILES for 3-butan-2-yl-6-methylideneoxan-2-one is C=C1CCC(C(C)CC)C(=O)O1.
What is the InChIKey of 3-butan-2-yl-6-methylideneoxan-2-one?
The InChIKey is ZFRQMHWYYUKHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7(2)9-6-5-8(3)12-10(9)11/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-butan-2-yl-6-methylideneoxan-2-one?
3-butan-2-yl-6-methylideneoxan-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 3-butan-2-yl-6-methylideneoxan-2-one is sourced from PubChem (CID 10374821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).