(3R)-3-methyloxan-2-one

C6H10O2 — CID 11804714

IUPAC(3R)-3-methyloxan-2-one
SMILESC[C@@H]1CCCOC1=O
InChIInChI=1S/C6H10O2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeySPEHEHYVDRYEDX-RXMQYKEDSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds

About (3R)-3-methyloxan-2-one

(3R)-3-methyloxan-2-one (PubChem CID 11804714) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3R)-3-methyloxan-2-one.

Molecular Properties

Compound Name(3R)-3-methyloxan-2-one
PubChem CID11804714
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3R)-3-methyloxan-2-one
SMILESC[C@@H]1CCCOC1=O
InChIInChI=1S/C6H10O2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeySPEHEHYVDRYEDX-RXMQYKEDSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyloxan-2-one?
The IUPAC name of (3R)-3-methyloxan-2-one (CID 11804714) is (3R)-3-methyloxan-2-one.
What is the SMILES notation for (3R)-3-methyloxan-2-one?
The canonical SMILES for (3R)-3-methyloxan-2-one is C[C@@H]1CCCOC1=O.
What is the InChIKey of (3R)-3-methyloxan-2-one?
The InChIKey is SPEHEHYVDRYEDX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methyloxan-2-one?
(3R)-3-methyloxan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyloxan-2-one is sourced from PubChem (CID 11804714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).