disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene

C18H22Na2O — CID 173405020

IUPACdisodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.[H-].[H-].[Na+].[Na+].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H10O.2Na.2H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-6-4-2;;;;/h1-10H;3-4H,1-2,5-6H2;;;;/q;;2*+1;2*-1
InChIKeyGBHFXTTUMDQLKP-UHFFFAOYSA-N
MW300.35 g/mol
LogP-1.04
Rot. Bonds5

About disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene

disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene (PubChem CID 173405020) has the molecular formula C18H22Na2O and a molecular weight of 300.35 g/mol. Its IUPAC name is disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namedisodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
PubChem CID173405020
Molecular FormulaC18H22Na2O
Molecular Weight300.35 g/mol
Exact Mass300.15
IUPAC Namedisodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.[H-].[H-].[Na+].[Na+].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H10O.2Na.2H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-6-4-2;;;;/h1-10H;3-4H,1-2,5-6H2;;;;/q;;2*+1;2*-1
InChIKeyGBHFXTTUMDQLKP-UHFFFAOYSA-N
XLogP-1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene
CID 173226505
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
benzene;1,1'-biphenyl;ethenamine
CID 174584589
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
beryllium;1,1'-biphenyl;hydride
CID 173156439
Potassium allyloxide
CID 87828396
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
CID 174846151
CID 174846151
1,3-bis(ethenyl)-5-phenylbenzene
CID 101418912

Frequently Asked Questions

What is the IUPAC name of disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene?
The IUPAC name of disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene (CID 173405020) is disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.[H-].[H-].[Na+].[Na+].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene?
The InChIKey is GBHFXTTUMDQLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H10O.2Na.2H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-6-4-2;;;;/h1-10H;3-4H,1-2,5-6H2;;;;/q;;2*+1;2*-1.
What are the key properties of disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene?
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene has a molecular weight of 300.35 g/mol, XLogP of -1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 173405020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).