benzene;ethene;dihydrate

C8H14O2 — CID 174570417

IUPACbenzene;ethene;dihydrate
SMILESC=C.O.O.c1ccccc1
InChIInChI=1S/C6H6.C2H4.2H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1-2H2;2*1H2
InChIKeyDBZCBLRBLDKJPP-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.84
Rot. Bonds

About benzene;ethene;dihydrate

benzene;ethene;dihydrate (PubChem CID 174570417) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is benzene;ethene;dihydrate.

Molecular Properties

Compound Namebenzene;ethene;dihydrate
PubChem CID174570417
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namebenzene;ethene;dihydrate
SMILESC=C.O.O.c1ccccc1
InChIInChI=1S/C6H6.C2H4.2H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1-2H2;2*1H2
InChIKeyDBZCBLRBLDKJPP-UHFFFAOYSA-N
XLogP0.84
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;ethene;dihydrate?
The IUPAC name of benzene;ethene;dihydrate (CID 174570417) is benzene;ethene;dihydrate.
What is the SMILES notation for benzene;ethene;dihydrate?
The canonical SMILES for benzene;ethene;dihydrate is C=C.O.O.c1ccccc1.
What is the InChIKey of benzene;ethene;dihydrate?
The InChIKey is DBZCBLRBLDKJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H4.2H2O/c1-2-4-6-5-3-1;1-2;;/h1-6H;1-2H2;2*1H2.
What are the key properties of benzene;ethene;dihydrate?
benzene;ethene;dihydrate has a molecular weight of 142.20 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethene;dihydrate is sourced from PubChem (CID 174570417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).