(3R,4R)-4-ethyl-3-propan-2-yloxane

C10H20O — CID 129093904

IUPAC(3R,4R)-4-ethyl-3-propan-2-yloxane
SMILESCC[C@@H]1CCOC[C@@H]1C(C)C
InChIInChI=1S/C10H20O/c1-4-9-5-6-11-7-10(9)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyROISYXFOBLPYFJ-NXEZZACHSA-N
MW156.27 g/mol
LogP2.71
Rot. Bonds2

About (3R,4R)-4-ethyl-3-propan-2-yloxane

(3R,4R)-4-ethyl-3-propan-2-yloxane (PubChem CID 129093904) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3R,4R)-4-ethyl-3-propan-2-yloxane.

Molecular Properties

Compound Name(3R,4R)-4-ethyl-3-propan-2-yloxane
PubChem CID129093904
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3R,4R)-4-ethyl-3-propan-2-yloxane
SMILESCC[C@@H]1CCOC[C@@H]1C(C)C
InChIInChI=1S/C10H20O/c1-4-9-5-6-11-7-10(9)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyROISYXFOBLPYFJ-NXEZZACHSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
3,4-di(propan-2-yl)oxolane;2-methylbutane
CID 161401744
(4-propan-2-yloxan-3-yl)azanium
CID 147478728
1-(2-ethylcyclohexyl)-2-(oxolan-3-yl)ethanol
CID 103986438
3-ethyloxolane
CID 10996972
1,2-diethyl-3-propan-2-ylcyclopentane
CID 123700425
3-pentan-3-yloxan-4-ol
CID 106471344
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455
3-butan-2-yloxolane;ethane
CID 143988733
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
butane;3-ethyloxolane
CID 143075797
1-butan-2-yl-2-ethylcyclobutane
CID 91142944

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethyl-3-propan-2-yloxane?
The IUPAC name of (3R,4R)-4-ethyl-3-propan-2-yloxane (CID 129093904) is (3R,4R)-4-ethyl-3-propan-2-yloxane.
What is the SMILES notation for (3R,4R)-4-ethyl-3-propan-2-yloxane?
The canonical SMILES for (3R,4R)-4-ethyl-3-propan-2-yloxane is CC[C@@H]1CCOC[C@@H]1C(C)C.
What is the InChIKey of (3R,4R)-4-ethyl-3-propan-2-yloxane?
The InChIKey is ROISYXFOBLPYFJ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O/c1-4-9-5-6-11-7-10(9)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-ethyl-3-propan-2-yloxane?
(3R,4R)-4-ethyl-3-propan-2-yloxane has a molecular weight of 156.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethyl-3-propan-2-yloxane is sourced from PubChem (CID 129093904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).