2-methyloxan-4-one

C6H10O2 — CID 10374434

IUPAC2-methyloxan-4-one
SMILESCC1CC(=O)CCO1
InChIInChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3
InChIKeyMQOPUXINXNVMKJ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds

About 2-methyloxan-4-one

2-methyloxan-4-one (PubChem CID 10374434) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methyloxan-4-one.

Molecular Properties

Compound Name2-methyloxan-4-one
PubChem CID10374434
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methyloxan-4-one
SMILESCC1CC(=O)CCO1
InChIInChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3
InChIKeyMQOPUXINXNVMKJ-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxan-4-one?
The IUPAC name of 2-methyloxan-4-one (CID 10374434) is 2-methyloxan-4-one.
What is the SMILES notation for 2-methyloxan-4-one?
The canonical SMILES for 2-methyloxan-4-one is CC1CC(=O)CCO1.
What is the InChIKey of 2-methyloxan-4-one?
The InChIKey is MQOPUXINXNVMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyloxan-4-one?
2-methyloxan-4-one has a molecular weight of 114.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxan-4-one is sourced from PubChem (CID 10374434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).