3-ethyl-5-methyloxan-4-ol

C8H16O2 — CID 59103761

IUPAC3-ethyl-5-methyloxan-4-ol
SMILESCCC1COCC(C)C1O
InChIInChI=1S/C8H16O2/c1-3-7-5-10-4-6(2)8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyKXTBDKAFPAHJBX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.04
Rot. Bonds1

About 3-ethyl-5-methyloxan-4-ol

3-ethyl-5-methyloxan-4-ol (PubChem CID 59103761) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethyl-5-methyloxan-4-ol.

Molecular Properties

Compound Name3-ethyl-5-methyloxan-4-ol
PubChem CID59103761
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethyl-5-methyloxan-4-ol
SMILESCCC1COCC(C)C1O
InChIInChI=1S/C8H16O2/c1-3-7-5-10-4-6(2)8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyKXTBDKAFPAHJBX-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-ethyloxolan-3-ol
CID 147211957
(3S,4R,5R)-3-ethyl-4,5-dimethyloxane
CID 118946155
CID 157394742
CID 157394742
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
ethane;methane;3-methyl-4-propyloxolane
CID 144611295
(2S,3R,4S)-4-ethyl-3-hydroxyoxolane-2-carboxylic acid
CID 126611673
4-ethyl-3,5-dimethyloxane
CID 91432465
3-ethyl-5-methylpiperidin-4-ol
CID 20773336
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
(3S,3aS,6S,6aS)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 167164365

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyloxan-4-ol?
The IUPAC name of 3-ethyl-5-methyloxan-4-ol (CID 59103761) is 3-ethyl-5-methyloxan-4-ol.
What is the SMILES notation for 3-ethyl-5-methyloxan-4-ol?
The canonical SMILES for 3-ethyl-5-methyloxan-4-ol is CCC1COCC(C)C1O.
What is the InChIKey of 3-ethyl-5-methyloxan-4-ol?
The InChIKey is KXTBDKAFPAHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-7-5-10-4-6(2)8(7)9/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-methyloxan-4-ol?
3-ethyl-5-methyloxan-4-ol has a molecular weight of 144.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyloxan-4-ol is sourced from PubChem (CID 59103761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).