ethane;4-methyloxane

C8H18O — CID 91171608

IUPACethane;4-methyloxane
SMILESCC.CC1CCOCC1
InChIInChI=1S/C6H12O.C2H6/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyDQDISMXXAXRUSG-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds

About ethane;4-methyloxane

ethane;4-methyloxane (PubChem CID 91171608) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is ethane;4-methyloxane.

Molecular Properties

Compound Nameethane;4-methyloxane
PubChem CID91171608
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Nameethane;4-methyloxane
SMILESCC.CC1CCOCC1
InChIInChI=1S/C6H12O.C2H6/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyDQDISMXXAXRUSG-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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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyloxane?
The IUPAC name of ethane;4-methyloxane (CID 91171608) is ethane;4-methyloxane.
What is the SMILES notation for ethane;4-methyloxane?
The canonical SMILES for ethane;4-methyloxane is CC.CC1CCOCC1.
What is the InChIKey of ethane;4-methyloxane?
The InChIKey is DQDISMXXAXRUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyloxane?
ethane;4-methyloxane 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 ethane;4-methyloxane is sourced from PubChem (CID 91171608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).