6-methyloxan-2-one;5-methyloxolan-2-one

C11H18O4 — CID 142135496

IUPAC6-methyloxan-2-one;5-methyloxolan-2-one
SMILESCC1CCC(=O)O1.CC1CCCC(=O)O1
InChIInChI=1S/C6H10O2.C5H8O2/c1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyZGXUGJPWPMYVMC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.81
Rot. Bonds

About 6-methyloxan-2-one;5-methyloxolan-2-one

6-methyloxan-2-one;5-methyloxolan-2-one (PubChem CID 142135496) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-methyloxan-2-one;5-methyloxolan-2-one.

Molecular Properties

Compound Name6-methyloxan-2-one;5-methyloxolan-2-one
PubChem CID142135496
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name6-methyloxan-2-one;5-methyloxolan-2-one
SMILESCC1CCC(=O)O1.CC1CCCC(=O)O1
InChIInChI=1S/C6H10O2.C5H8O2/c1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyZGXUGJPWPMYVMC-UHFFFAOYSA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyloxan-2-one
CID 160564586
5-methyloxolan-2-one
CID 69397003
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
5,12-dimethyl-oxacyclododecan-2-one
CID 162413653
6-methyloxan-2-one;oxepan-2-one
CID 167589650
(6Z,12S)-12-methyl-1-oxacyclododec-6-en-2-one
CID 163188101
methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one
CID 159896978
(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
CID 10857106
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
(6Z,9Z,14S)-14-methyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 56936049

Frequently Asked Questions

What is the IUPAC name of 6-methyloxan-2-one;5-methyloxolan-2-one?
The IUPAC name of 6-methyloxan-2-one;5-methyloxolan-2-one (CID 142135496) is 6-methyloxan-2-one;5-methyloxolan-2-one.
What is the SMILES notation for 6-methyloxan-2-one;5-methyloxolan-2-one?
The canonical SMILES for 6-methyloxan-2-one;5-methyloxolan-2-one is CC1CCC(=O)O1.CC1CCCC(=O)O1.
What is the InChIKey of 6-methyloxan-2-one;5-methyloxolan-2-one?
The InChIKey is ZGXUGJPWPMYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H8O2/c1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h5H,2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 6-methyloxan-2-one;5-methyloxolan-2-one?
6-methyloxan-2-one;5-methyloxolan-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloxan-2-one;5-methyloxolan-2-one is sourced from PubChem (CID 142135496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).