ethane;3-methyloxolane;oxane

C12H26O2 — CID 157145754

IUPACethane;3-methyloxolane;oxane
SMILESC1CCOCC1.CC.CC1CCOC1
InChIInChI=1S/2C5H10O.C2H6/c1-5-2-3-6-4-5;1-2-4-6-5-3-1;1-2/h5H,2-4H2,1H3;1-5H2;1-2H3
InChIKeyAKRLHOIKWRQYNQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.26
Rot. Bonds

About ethane;3-methyloxolane;oxane

ethane;3-methyloxolane;oxane (PubChem CID 157145754) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;3-methyloxolane;oxane.

Molecular Properties

Compound Nameethane;3-methyloxolane;oxane
PubChem CID157145754
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Nameethane;3-methyloxolane;oxane
SMILESC1CCOCC1.CC.CC1CCOC1
InChIInChI=1S/2C5H10O.C2H6/c1-5-2-3-6-4-5;1-2-4-6-5-3-1;1-2/h5H,2-4H2,1H3;1-5H2;1-2H3
InChIKeyAKRLHOIKWRQYNQ-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyloxolane;oxane?
The IUPAC name of ethane;3-methyloxolane;oxane (CID 157145754) is ethane;3-methyloxolane;oxane.
What is the SMILES notation for ethane;3-methyloxolane;oxane?
The canonical SMILES for ethane;3-methyloxolane;oxane is C1CCOCC1.CC.CC1CCOC1.
What is the InChIKey of ethane;3-methyloxolane;oxane?
The InChIKey is AKRLHOIKWRQYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O.C2H6/c1-5-2-3-6-4-5;1-2-4-6-5-3-1;1-2/h5H,2-4H2,1H3;1-5H2;1-2H3.
What are the key properties of ethane;3-methyloxolane;oxane?
ethane;3-methyloxolane;oxane has a molecular weight of 202.34 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyloxolane;oxane is sourced from PubChem (CID 157145754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).