disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride

C28H46Na2O — CID 173234831

IUPACdisodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride
SMILESCCCCCCCCCCCCc1ccc(-c2ccccc2)cc1.CCOCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C24H34.C4H10O.2Na.2H/c1-2-3-4-5-6-7-8-9-10-12-15-22-18-20-24(21-19-22)23-16-13-11-14-17-23;1-3-5-4-2;;;;/h11,13-14,16-21H,2-10,12,15H2,1H3;3-4H2,1-2H3;;;;/q;;2*+1;2*-1
InChIKeyTVCJNVNQAGQPDK-UHFFFAOYSA-N
MW444.66 g/mol
LogP3.09
Rot. Bonds14

About disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride

disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride (PubChem CID 173234831) has the molecular formula C28H46Na2O and a molecular weight of 444.66 g/mol. Its IUPAC name is disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride.

Molecular Properties

Compound Namedisodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride
PubChem CID173234831
Molecular FormulaC28H46Na2O
Molecular Weight444.66 g/mol
Exact Mass444.33
IUPAC Namedisodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride
SMILESCCCCCCCCCCCCc1ccc(-c2ccccc2)cc1.CCOCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C24H34.C4H10O.2Na.2H/c1-2-3-4-5-6-7-8-9-10-12-15-22-18-20-24(21-19-22)23-16-13-11-14-17-23;1-3-5-4-2;;;;/h11,13-14,16-21H,2-10,12,15H2,1H3;3-4H2,1-2H3;;;;/q;;2*+1;2*-1
InChIKeyTVCJNVNQAGQPDK-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentadecyl-4-phenylbenzene
CID 57166115
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
sodium;hydride;pentadecylbenzene
CID 173461904
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
potassium;hydride;octadecylbenzene
CID 173344678
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride?
The IUPAC name of disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride (CID 173234831) is disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride.
What is the SMILES notation for disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride?
The canonical SMILES for disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride is CCCCCCCCCCCCc1ccc(-c2ccccc2)cc1.CCOCC.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride?
The InChIKey is TVCJNVNQAGQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34.C4H10O.2Na.2H/c1-2-3-4-5-6-7-8-9-10-12-15-22-18-20-24(21-19-22)23-16-13-11-14-17-23;1-3-5-4-2;;;;/h11,13-14,16-21H,2-10,12,15H2,1H3;3-4H2,1-2H3;;;;/q;;2*+1;2*-1.
What are the key properties of disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride?
disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride has a molecular weight of 444.66 g/mol, XLogP of 3.09, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride is sourced from PubChem (CID 173234831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).