3-butan-2-yloxolane;ethane

C10H22O — CID 143988733

IUPAC3-butan-2-yloxolane;ethane
SMILESCC.CCC(C)C1CCOC1
InChIInChI=1S/C8H16O.C2H6/c1-3-7(2)8-4-5-9-6-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyUEMNMROICSDVTN-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.10
Rot. Bonds2

About 3-butan-2-yloxolane;ethane

3-butan-2-yloxolane;ethane (PubChem CID 143988733) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-butan-2-yloxolane;ethane.

Molecular Properties

Compound Name3-butan-2-yloxolane;ethane
PubChem CID143988733
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-butan-2-yloxolane;ethane
SMILESCC.CCC(C)C1CCOC1
InChIInChI=1S/C8H16O.C2H6/c1-3-7(2)8-4-5-9-6-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyUEMNMROICSDVTN-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-butan-2-yloxolane;ethane;4-methyloxane;(4R)-2,2,4-trimethyloxane
CID 169190720
(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865
3-(1-ethoxyethyl)oxolane
CID 11788363
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
3-heptan-4-yloxolane
CID 162375259
butan-2-ylcyclopentane;ethane
CID 143236269
3-(1-methoxy-3-methylpentyl)oxolane
CID 177151433

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxolane;ethane?
The IUPAC name of 3-butan-2-yloxolane;ethane (CID 143988733) is 3-butan-2-yloxolane;ethane.
What is the SMILES notation for 3-butan-2-yloxolane;ethane?
The canonical SMILES for 3-butan-2-yloxolane;ethane is CC.CCC(C)C1CCOC1.
What is the InChIKey of 3-butan-2-yloxolane;ethane?
The InChIKey is UEMNMROICSDVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6/c1-3-7(2)8-4-5-9-6-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3-butan-2-yloxolane;ethane?
3-butan-2-yloxolane;ethane has a molecular weight of 158.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxolane;ethane is sourced from PubChem (CID 143988733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).