(5S)-4-ethyl-2,5-dimethyloxane

C9H18O — CID 163593712

IUPAC(5S)-4-ethyl-2,5-dimethyloxane
SMILESCCC1CC(C)OC[C@H]1C
InChIInChI=1S/C9H18O/c1-4-9-5-8(3)10-6-7(9)2/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyGRRDSEGWXUQRPV-AFPNSQJFSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (5S)-4-ethyl-2,5-dimethyloxane

(5S)-4-ethyl-2,5-dimethyloxane (PubChem CID 163593712) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (5S)-4-ethyl-2,5-dimethyloxane.

Molecular Properties

Compound Name(5S)-4-ethyl-2,5-dimethyloxane
PubChem CID163593712
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(5S)-4-ethyl-2,5-dimethyloxane
SMILESCCC1CC(C)OC[C@H]1C
InChIInChI=1S/C9H18O/c1-4-9-5-8(3)10-6-7(9)2/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyGRRDSEGWXUQRPV-AFPNSQJFSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-ethyl-2-methylcyclopropane;2-methylpropane
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CID 163498360
2-methyloxirane;polane
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λ2-plumbane;2-methyloxirane
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(3R,4R,6R)-4-amino-6-methyloxan-3-ol
CID 173049740
(2-ethylcyclohexyl)-(5-methyloxolan-3-yl)methanol
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(3S,4R,5R)-3-ethyl-4,5-dimethyloxane
CID 118946155
azane;3-ethyl-2-methyloxetane;dihydrate
CID 143363740
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818

Frequently Asked Questions

What is the IUPAC name of (5S)-4-ethyl-2,5-dimethyloxane?
The IUPAC name of (5S)-4-ethyl-2,5-dimethyloxane (CID 163593712) is (5S)-4-ethyl-2,5-dimethyloxane.
What is the SMILES notation for (5S)-4-ethyl-2,5-dimethyloxane?
The canonical SMILES for (5S)-4-ethyl-2,5-dimethyloxane is CCC1CC(C)OC[C@H]1C.
What is the InChIKey of (5S)-4-ethyl-2,5-dimethyloxane?
The InChIKey is GRRDSEGWXUQRPV-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9-5-8(3)10-6-7(9)2/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m1/s1.
What are the key properties of (5S)-4-ethyl-2,5-dimethyloxane?
(5S)-4-ethyl-2,5-dimethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-ethyl-2,5-dimethyloxane is sourced from PubChem (CID 163593712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).