butane;3-ethyloxolane

C10H22O — CID 143075797

IUPACbutane;3-ethyloxolane
SMILESCCC1CCOC1.CCCC
InChIInChI=1S/C6H12O.C4H10/c1-2-6-3-4-7-5-6;1-3-4-2/h6H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyAGJXNNGJDVGMOS-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds2

About butane;3-ethyloxolane

butane;3-ethyloxolane (PubChem CID 143075797) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is butane;3-ethyloxolane.

Molecular Properties

Compound Namebutane;3-ethyloxolane
PubChem CID143075797
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Namebutane;3-ethyloxolane
SMILESCCC1CCOC1.CCCC
InChIInChI=1S/C6H12O.C4H10/c1-2-6-3-4-7-5-6;1-3-4-2/h6H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyAGJXNNGJDVGMOS-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyloxolane
CID 10996972
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
6-ethyl-1,4,8,12-tetraoxacyclopentadecane
CID 123605325
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
(3S)-3-(2-iodoethyl)oxolane
CID 97296763
3-(ethylsulfanylmethyl)oxolane
CID 130928771
3-(bromomethyl)oxolane
CID 14173422
sodium oxolan-3-ylmethanesulfonate
CID 23670188
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
oxolan-3-ylmethoxy(dipropyl)alumane
CID 139905281
3-(oxolan-3-ylmethyl)pentan-3-ol
CID 14783553
ethane;3-(methoxymethyl)oxolane
CID 143285946

Frequently Asked Questions

What is the IUPAC name of butane;3-ethyloxolane?
The IUPAC name of butane;3-ethyloxolane (CID 143075797) is butane;3-ethyloxolane.
What is the SMILES notation for butane;3-ethyloxolane?
The canonical SMILES for butane;3-ethyloxolane is CCC1CCOC1.CCCC.
What is the InChIKey of butane;3-ethyloxolane?
The InChIKey is AGJXNNGJDVGMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C4H10/c1-2-6-3-4-7-5-6;1-3-4-2/h6H,2-5H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;3-ethyloxolane?
butane;3-ethyloxolane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-ethyloxolane is sourced from PubChem (CID 143075797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).