benzene;formaldehyde;methane;hydrate

C8H14O2 — CID 156614093

IUPACbenzene;formaldehyde;methane;hydrate
SMILESC.C=O.O.c1ccccc1
InChIInChI=1S/C6H6.CH2O.CH4.H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1H2;1H4;1H2
InChIKeyHNMMNXBFRJPJDM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.31
Rot. Bonds

About benzene;formaldehyde;methane;hydrate

benzene;formaldehyde;methane;hydrate (PubChem CID 156614093) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is benzene;formaldehyde;methane;hydrate.

Molecular Properties

Compound Namebenzene;formaldehyde;methane;hydrate
PubChem CID156614093
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namebenzene;formaldehyde;methane;hydrate
SMILESC.C=O.O.c1ccccc1
InChIInChI=1S/C6H6.CH2O.CH4.H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1H2;1H4;1H2
InChIKeyHNMMNXBFRJPJDM-UHFFFAOYSA-N
XLogP1.31
TPSA48.57 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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;formaldehyde;methane;hydrate?
The IUPAC name of benzene;formaldehyde;methane;hydrate (CID 156614093) is benzene;formaldehyde;methane;hydrate.
What is the SMILES notation for benzene;formaldehyde;methane;hydrate?
The canonical SMILES for benzene;formaldehyde;methane;hydrate is C.C=O.O.c1ccccc1.
What is the InChIKey of benzene;formaldehyde;methane;hydrate?
The InChIKey is HNMMNXBFRJPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH2O.CH4.H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1H2;1H4;1H2.
What are the key properties of benzene;formaldehyde;methane;hydrate?
benzene;formaldehyde;methane;hydrate has a molecular weight of 142.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;formaldehyde;methane;hydrate is sourced from PubChem (CID 156614093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).