2-methylpropane;oxane

C9H20O — CID 91454058

IUPAC2-methylpropane;oxane
SMILESC1CCOCC1.CC(C)C
InChIInChI=1S/C5H10O.C4H10/c1-2-4-6-5-3-1;1-4(2)3/h1-5H2;4H,1-3H3
InChIKeyXFNHCEOUDVOCSC-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds

About 2-methylpropane;oxane

2-methylpropane;oxane (PubChem CID 91454058) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methylpropane;oxane.

Molecular Properties

Compound Name2-methylpropane;oxane
PubChem CID91454058
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methylpropane;oxane
SMILESC1CCOCC1.CC(C)C
InChIInChI=1S/C5H10O.C4H10/c1-2-4-6-5-3-1;1-4(2)3/h1-5H2;4H,1-3H3
InChIKeyXFNHCEOUDVOCSC-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methylpropane;oxane
CID 91157399
2-methylpropane;oxolane
CID 70603205
2-chloropropane;oxolane
CID 159770837
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
tetrakis(2-methylpropane);oxane;oxolane;thiane;thiolane
CID 161150896
oxolane;propan-2-ol
CID 22597222

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;oxane?
The IUPAC name of 2-methylpropane;oxane (CID 91454058) is 2-methylpropane;oxane.
What is the SMILES notation for 2-methylpropane;oxane?
The canonical SMILES for 2-methylpropane;oxane is C1CCOCC1.CC(C)C.
What is the InChIKey of 2-methylpropane;oxane?
The InChIKey is XFNHCEOUDVOCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H10/c1-2-4-6-5-3-1;1-4(2)3/h1-5H2;4H,1-3H3.
What are the key properties of 2-methylpropane;oxane?
2-methylpropane;oxane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;oxane is sourced from PubChem (CID 91454058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).