benzene;methoxymethane;hydrate

C8H14O2 — CID 174949268

IUPACbenzene;methoxymethane;hydrate
SMILESCOC.O.c1ccccc1
InChIInChI=1S/C6H6.C2H6O.H2O/c1-2-4-6-5-3-1;1-3-2;/h1-6H;1-2H3;1H2
InChIKeyFLTYJXJJBBVLPU-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.12
Rot. Bonds

About benzene;methoxymethane;hydrate

benzene;methoxymethane;hydrate (PubChem CID 174949268) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is benzene;methoxymethane;hydrate.

Molecular Properties

Compound Namebenzene;methoxymethane;hydrate
PubChem CID174949268
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namebenzene;methoxymethane;hydrate
SMILESCOC.O.c1ccccc1
InChIInChI=1S/C6H6.C2H6O.H2O/c1-2-4-6-5-3-1;1-3-2;/h1-6H;1-2H3;1H2
InChIKeyFLTYJXJJBBVLPU-UHFFFAOYSA-N
XLogP1.12
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;methoxymethane;hydrate?
The IUPAC name of benzene;methoxymethane;hydrate (CID 174949268) is benzene;methoxymethane;hydrate.
What is the SMILES notation for benzene;methoxymethane;hydrate?
The canonical SMILES for benzene;methoxymethane;hydrate is COC.O.c1ccccc1.
What is the InChIKey of benzene;methoxymethane;hydrate?
The InChIKey is FLTYJXJJBBVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H6O.H2O/c1-2-4-6-5-3-1;1-3-2;/h1-6H;1-2H3;1H2.
What are the key properties of benzene;methoxymethane;hydrate?
benzene;methoxymethane;hydrate has a molecular weight of 142.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methoxymethane;hydrate is sourced from PubChem (CID 174949268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).