5-ethyl-2-methyl-1,4-dioxocane

C9H18O2 — CID 161066781

IUPAC5-ethyl-2-methyl-1,4-dioxocane
SMILESCCC1CCCOC(C)CO1
InChIInChI=1S/C9H18O2/c1-3-9-5-4-6-10-8(2)7-11-9/h8-9H,3-7H2,1-2H3
InChIKeyUECYNQZWSAMQOZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds1

About 5-ethyl-2-methyl-1,4-dioxocane

5-ethyl-2-methyl-1,4-dioxocane (PubChem CID 161066781) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1,4-dioxocane.

Molecular Properties

Compound Name5-ethyl-2-methyl-1,4-dioxocane
PubChem CID161066781
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-ethyl-2-methyl-1,4-dioxocane
SMILESCCC1CCCOC(C)CO1
InChIInChI=1S/C9H18O2/c1-3-9-5-4-6-10-8(2)7-11-9/h8-9H,3-7H2,1-2H3
InChIKeyUECYNQZWSAMQOZ-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyloxolane
CID 641529
azane;2-ethyloxolane
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2-ethyloxolane;trifluoroborane
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(2R)-2-ethyl-5-methyloxane
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CID 19937072
CID 19937072
2-methyloxane;propane
CID 171074580
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-ethyl-5-[2-(oxan-3-yl)ethyl]oxane
CID 153020675
2-ethyl-5,5-dimethyloxane;2-ethyloxane
CID 165124837
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81218861
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine
CID 81217702

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1,4-dioxocane?
The IUPAC name of 5-ethyl-2-methyl-1,4-dioxocane (CID 161066781) is 5-ethyl-2-methyl-1,4-dioxocane.
What is the SMILES notation for 5-ethyl-2-methyl-1,4-dioxocane?
The canonical SMILES for 5-ethyl-2-methyl-1,4-dioxocane is CCC1CCCOC(C)CO1.
What is the InChIKey of 5-ethyl-2-methyl-1,4-dioxocane?
The InChIKey is UECYNQZWSAMQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-9-5-4-6-10-8(2)7-11-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-1,4-dioxocane?
5-ethyl-2-methyl-1,4-dioxocane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1,4-dioxocane is sourced from PubChem (CID 161066781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).