4-ethyl-3,5-dimethyloxane

C9H18O — CID 91432465

IUPAC4-ethyl-3,5-dimethyloxane
SMILESCCC1C(C)COCC1C
InChIInChI=1S/C9H18O/c1-4-9-7(2)5-10-6-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyCRKCVUXQVMRKJQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.32
Rot. Bonds1

About 4-ethyl-3,5-dimethyloxane

4-ethyl-3,5-dimethyloxane (PubChem CID 91432465) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyloxane.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyloxane
PubChem CID91432465
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4-ethyl-3,5-dimethyloxane
SMILESCCC1C(C)COCC1C
InChIInChI=1S/C9H18O/c1-4-9-7(2)5-10-6-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyCRKCVUXQVMRKJQ-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-3-ethyl-4-methyloxolane
CID 59936247
(3S,4R,5R)-3-ethyl-4,5-dimethyloxane
CID 118946155
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane
CID 91010056
3-ethyl-5-methyloxan-4-ol
CID 59103761
(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol
CID 130142594
(3R)-3,4-dimethyloxolane;ethene
CID 145261700
5-chloro-2-ethyl-1,3-dimethylcyclohexane
CID 163493383
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethyloxane?
The IUPAC name of 4-ethyl-3,5-dimethyloxane (CID 91432465) is 4-ethyl-3,5-dimethyloxane.
What is the SMILES notation for 4-ethyl-3,5-dimethyloxane?
The canonical SMILES for 4-ethyl-3,5-dimethyloxane is CCC1C(C)COCC1C.
What is the InChIKey of 4-ethyl-3,5-dimethyloxane?
The InChIKey is CRKCVUXQVMRKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9-7(2)5-10-6-8(9)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-3,5-dimethyloxane?
4-ethyl-3,5-dimethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethyloxane is sourced from PubChem (CID 91432465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).