2-butan-2-yloxyoxane

C9H18O2 — CID 559028

IUPAC2-butan-2-yloxyoxane
SMILESCCC(C)OC1CCCCO1
InChIInChI=1S/C9H18O2/c1-3-8(2)11-9-6-4-5-7-10-9/h8-9H,3-7H2,1-2H3
InChIKeyGKBFTJFDXHMTGZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.33
Rot. Bonds3

About 2-butan-2-yloxyoxane

2-butan-2-yloxyoxane (PubChem CID 559028) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-butan-2-yloxyoxane.

Molecular Properties

Compound Name2-butan-2-yloxyoxane
PubChem CID559028
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-butan-2-yloxyoxane
SMILESCCC(C)OC1CCCCO1
InChIInChI=1S/C9H18O2/c1-3-8(2)11-9-6-4-5-7-10-9/h8-9H,3-7H2,1-2H3
InChIKeyGKBFTJFDXHMTGZ-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
3-(oxan-2-yloxy)butanoic acid
CID 14279636
2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane
CID 11184433
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095
N-methyl-1-[2-(oxan-2-yloxy)propoxy]propan-2-amine
CID 146517545

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxyoxane?
The IUPAC name of 2-butan-2-yloxyoxane (CID 559028) is 2-butan-2-yloxyoxane.
What is the SMILES notation for 2-butan-2-yloxyoxane?
The canonical SMILES for 2-butan-2-yloxyoxane is CCC(C)OC1CCCCO1.
What is the InChIKey of 2-butan-2-yloxyoxane?
The InChIKey is GKBFTJFDXHMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-8(2)11-9-6-4-5-7-10-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-butan-2-yloxyoxane?
2-butan-2-yloxyoxane has a molecular weight of 158.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxyoxane is sourced from PubChem (CID 559028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).