methanol;4-methyloxane

C7H16O2 — CID 145298194

IUPACmethanol;4-methyloxane
SMILESCC1CCOCC1.CO
InChIInChI=1S/C6H12O.CH4O/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2H,1H3
InChIKeyGEOWQEHKBUGGPN-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds

About methanol;4-methyloxane

methanol;4-methyloxane (PubChem CID 145298194) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is methanol;4-methyloxane.

Molecular Properties

Compound Namemethanol;4-methyloxane
PubChem CID145298194
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Namemethanol;4-methyloxane
SMILESCC1CCOCC1.CO
InChIInChI=1S/C6H12O.CH4O/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2H,1H3
InChIKeyGEOWQEHKBUGGPN-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;4-methyloxane?
The IUPAC name of methanol;4-methyloxane (CID 145298194) is methanol;4-methyloxane.
What is the SMILES notation for methanol;4-methyloxane?
The canonical SMILES for methanol;4-methyloxane is CC1CCOCC1.CO.
What is the InChIKey of methanol;4-methyloxane?
The InChIKey is GEOWQEHKBUGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.CH4O/c1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2H,1H3.
What are the key properties of methanol;4-methyloxane?
methanol;4-methyloxane has a molecular weight of 132.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-methyloxane is sourced from PubChem (CID 145298194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).