(3S)-4-ethyl-3-methoxyoxane

C8H16O2 — CID 89128246

IUPAC(3S)-4-ethyl-3-methoxyoxane
SMILESCCC1CCOC[C@H]1OC
InChIInChI=1S/C8H16O2/c1-3-7-4-5-10-6-8(7)9-2/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyTYNFELKPPPURHZ-BRFYHDHCSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds2

About (3S)-4-ethyl-3-methoxyoxane

(3S)-4-ethyl-3-methoxyoxane (PubChem CID 89128246) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3S)-4-ethyl-3-methoxyoxane.

Molecular Properties

Compound Name(3S)-4-ethyl-3-methoxyoxane
PubChem CID89128246
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3S)-4-ethyl-3-methoxyoxane
SMILESCCC1CCOC[C@H]1OC
InChIInChI=1S/C8H16O2/c1-3-7-4-5-10-6-8(7)9-2/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyTYNFELKPPPURHZ-BRFYHDHCSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diethyl-1,4-dioxane
CID 20316221
2-Ethylenedioxy-5-methylheptane
CID 129811787
4-Fluoro-4-(propan-2-yloxymethyl)oxane
CID 166503890
3-Propan-2-yloxyoxane
CID 21353722
4-(Methoxymethyl)-2-methyloxane
CID 54041592
4-(1-Propoxyethyl)oxane
CID 57138230
2-(2-Methylpropyl)-1,4-dioxane
CID 58664926
4-(3-Methylbutoxy)oxane
CID 58689153
4-[(2-Methylpropan-2-yl)oxymethyl]oxane
CID 59446297
4-Tert-butyl-3-methoxyoxane
CID 76667382
3-Methoxy-4,5-dimethyloxane
CID 90994614
2-Ethyl-6-(2-methylpropyl)-1,4-dioxane
CID 123367654

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-3-methoxyoxane?
The IUPAC name of (3S)-4-ethyl-3-methoxyoxane (CID 89128246) is (3S)-4-ethyl-3-methoxyoxane.
What is the SMILES notation for (3S)-4-ethyl-3-methoxyoxane?
The canonical SMILES for (3S)-4-ethyl-3-methoxyoxane is CCC1CCOC[C@H]1OC.
What is the InChIKey of (3S)-4-ethyl-3-methoxyoxane?
The InChIKey is TYNFELKPPPURHZ-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-7-4-5-10-6-8(7)9-2/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (3S)-4-ethyl-3-methoxyoxane?
(3S)-4-ethyl-3-methoxyoxane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-3-methoxyoxane is sourced from PubChem (CID 89128246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).