ethane;2-methylpropane;oxane

C11H26O — CID 91157399

IUPACethane;2-methylpropane;oxane
SMILESC1CCOCC1.CC.CC(C)C
InChIInChI=1S/C5H10O.C4H10.C2H6/c1-2-4-6-5-3-1;1-4(2)3;1-2/h1-5H2;4H,1-3H3;1-2H3
InChIKeyIGSVVAKSHDZERF-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.88
Rot. Bonds

About ethane;2-methylpropane;oxane

ethane;2-methylpropane;oxane (PubChem CID 91157399) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;2-methylpropane;oxane.

Molecular Properties

Compound Nameethane;2-methylpropane;oxane
PubChem CID91157399
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Nameethane;2-methylpropane;oxane
SMILESC1CCOCC1.CC.CC(C)C
InChIInChI=1S/C5H10O.C4H10.C2H6/c1-2-4-6-5-3-1;1-4(2)3;1-2/h1-5H2;4H,1-3H3;1-2H3
InChIKeyIGSVVAKSHDZERF-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpropane;oxane
CID 91454058
2-methylpropane;oxolane
CID 70603205
2-chloropropane;oxolane
CID 159770837
cyclohexane;oxane
CID 20574508
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
tetrakis(2-methylpropane);oxane;oxolane;thiane;thiolane
CID 161150896
oxolane;propan-2-ol
CID 22597222

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;oxane?
The IUPAC name of ethane;2-methylpropane;oxane (CID 91157399) is ethane;2-methylpropane;oxane.
What is the SMILES notation for ethane;2-methylpropane;oxane?
The canonical SMILES for ethane;2-methylpropane;oxane is C1CCOCC1.CC.CC(C)C.
What is the InChIKey of ethane;2-methylpropane;oxane?
The InChIKey is IGSVVAKSHDZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H10.C2H6/c1-2-4-6-5-3-1;1-4(2)3;1-2/h1-5H2;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;oxane?
ethane;2-methylpropane;oxane has a molecular weight of 174.33 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;oxane is sourced from PubChem (CID 91157399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).