6-ethyloxan-2-one;oxan-2-ol

C12H22O4 — CID 144771613

IUPAC6-ethyloxan-2-one;oxan-2-ol
SMILESCCC1CCCC(=O)O1.OC1CCCCO1
InChIInChI=1S/C7H12O2.C5H10O2/c1-2-6-4-3-5-7(8)9-6;6-5-3-1-2-4-7-5/h6H,2-5H2,1H3;5-6H,1-4H2
InChIKeyHPZFFPJHBGHGBY-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.00
Rot. Bonds1

About 6-ethyloxan-2-one;oxan-2-ol

6-ethyloxan-2-one;oxan-2-ol (PubChem CID 144771613) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-ethyloxan-2-one;oxan-2-ol.

Molecular Properties

Compound Name6-ethyloxan-2-one;oxan-2-ol
PubChem CID144771613
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name6-ethyloxan-2-one;oxan-2-ol
SMILESCCC1CCCC(=O)O1.OC1CCCCO1
InChIInChI=1S/C7H12O2.C5H10O2/c1-2-6-4-3-5-7(8)9-6;6-5-3-1-2-4-7-5/h6H,2-5H2,1H3;5-6H,1-4H2
InChIKeyHPZFFPJHBGHGBY-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

16-ethyl-oxacyclohexadecan-2-one
CID 71324140
(9R)-9-ethyloxonan-2-one
CID 54340758
(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
CID 87224940
(7S)-7-hydroxyoxepan-2-one
CID 131065428
13-propyl-oxacyclotridecan-2-one
CID 54410072
acetonitrile;5-ethyloxolan-2-one
CID 174800937
ethylcyclopropane;5-ethyloxolan-2-one;methane
CID 158681141
6-icosyloxan-2-one
CID 100966702
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
2,5-diethyl-1,7-dioxacyclotridecane-8,13-dione
CID 154427465
magnesium;ethane;oxan-2-ol;hydrobromide
CID 173423847
7-(iodomethyl)oxepan-2-one
CID 11807205

Frequently Asked Questions

What is the IUPAC name of 6-ethyloxan-2-one;oxan-2-ol?
The IUPAC name of 6-ethyloxan-2-one;oxan-2-ol (CID 144771613) is 6-ethyloxan-2-one;oxan-2-ol.
What is the SMILES notation for 6-ethyloxan-2-one;oxan-2-ol?
The canonical SMILES for 6-ethyloxan-2-one;oxan-2-ol is CCC1CCCC(=O)O1.OC1CCCCO1.
What is the InChIKey of 6-ethyloxan-2-one;oxan-2-ol?
The InChIKey is HPZFFPJHBGHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C5H10O2/c1-2-6-4-3-5-7(8)9-6;6-5-3-1-2-4-7-5/h6H,2-5H2,1H3;5-6H,1-4H2.
What are the key properties of 6-ethyloxan-2-one;oxan-2-ol?
6-ethyloxan-2-one;oxan-2-ol has a molecular weight of 230.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyloxan-2-one;oxan-2-ol is sourced from PubChem (CID 144771613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).