2-methylpropane;oxolane

C8H18O — CID 70603205

IUPAC2-methylpropane;oxolane
SMILESC1CCOC1.CC(C)C
InChIInChI=1S/C4H8O.C4H10/c1-2-4-5-3-1;1-4(2)3/h1-4H2;4H,1-3H3
InChIKeyPGBVZLMCBGTMLD-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds

About 2-methylpropane;oxolane

2-methylpropane;oxolane (PubChem CID 70603205) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methylpropane;oxolane.

Molecular Properties

Compound Name2-methylpropane;oxolane
PubChem CID70603205
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-methylpropane;oxolane
SMILESC1CCOC1.CC(C)C
InChIInChI=1S/C4H8O.C4H10/c1-2-4-5-3-1;1-4(2)3/h1-4H2;4H,1-3H3
InChIKeyPGBVZLMCBGTMLD-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpropane;oxane
CID 91454058
ethane;2-methylpropane;oxane
CID 91157399
2-chloropropane;oxolane
CID 159770837
oxolane;propan-2-ol
CID 22597222
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
tetrakis(2-methylpropane);oxane;oxolane;thiane;thiolane
CID 161150896
methane;2-methylpropane;oxetane
CID 160642963
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
CID 160567217
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
manganese;oxolane
CID 70504486

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;oxolane?
The IUPAC name of 2-methylpropane;oxolane (CID 70603205) is 2-methylpropane;oxolane.
What is the SMILES notation for 2-methylpropane;oxolane?
The canonical SMILES for 2-methylpropane;oxolane is C1CCOC1.CC(C)C.
What is the InChIKey of 2-methylpropane;oxolane?
The InChIKey is PGBVZLMCBGTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H10/c1-2-4-5-3-1;1-4(2)3/h1-4H2;4H,1-3H3.
What are the key properties of 2-methylpropane;oxolane?
2-methylpropane;oxolane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;oxolane is sourced from PubChem (CID 70603205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).