6-methyloxan-2-one

C6H10O2 — CID 13204

IUPAC6-methyloxan-2-one
SMILESCC1CCCC(=O)O1
InChIInChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
InChIKeyRZTOWFMDBDPERY-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.10
Rot. Bonds

About 6-methyloxan-2-one

6-methyloxan-2-one (PubChem CID 13204) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 6-methyloxan-2-one.

Molecular Properties

Compound Name6-methyloxan-2-one
PubChem CID13204
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name6-methyloxan-2-one
SMILESCC1CCCC(=O)O1
InChIInChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
InChIKeyRZTOWFMDBDPERY-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyloxan-2-one?
The IUPAC name of 6-methyloxan-2-one (CID 13204) is 6-methyloxan-2-one.
What is the SMILES notation for 6-methyloxan-2-one?
The canonical SMILES for 6-methyloxan-2-one is CC1CCCC(=O)O1.
What is the InChIKey of 6-methyloxan-2-one?
The InChIKey is RZTOWFMDBDPERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3.
What are the key properties of 6-methyloxan-2-one?
6-methyloxan-2-one has a molecular weight of 114.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloxan-2-one is sourced from PubChem (CID 13204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).