sodium;hydride;1-phenyltetradec-1-enylbenzene

C26H37Na — CID 173018182

IUPACsodium;hydride;1-phenyltetradec-1-enylbenzene
SMILESCCCCCCCCCCCCC=C(c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C26H36.Na.H/c1-2-3-4-5-6-7-8-9-10-11-18-23-26(24-19-14-12-15-20-24)25-21-16-13-17-22-25;;/h12-17,19-23H,2-11,18H2,1H3;;/q;+1;-1
InChIKeyFQSKARKRMZQFBW-UHFFFAOYSA-N
MW372.57 g/mol
LogP5.55
Rot. Bonds13

About sodium;hydride;1-phenyltetradec-1-enylbenzene

sodium;hydride;1-phenyltetradec-1-enylbenzene (PubChem CID 173018182) has the molecular formula C26H37Na and a molecular weight of 372.57 g/mol. Its IUPAC name is sodium;hydride;1-phenyltetradec-1-enylbenzene.

Molecular Properties

Compound Namesodium;hydride;1-phenyltetradec-1-enylbenzene
PubChem CID173018182
Molecular FormulaC26H37Na
Molecular Weight372.57 g/mol
Exact Mass372.28
IUPAC Namesodium;hydride;1-phenyltetradec-1-enylbenzene
SMILESCCCCCCCCCCCCC=C(c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C26H36.Na.H/c1-2-3-4-5-6-7-8-9-10-11-18-23-26(24-19-14-12-15-20-24)25-21-16-13-17-22-25;;/h12-17,19-23H,2-11,18H2,1H3;;/q;+1;-1
InChIKeyFQSKARKRMZQFBW-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylhept-1-enyl)pyridine
CID 71123883
2-phenylundec-2-ene-1-thiol
CID 175069404
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
2-butyl-1-phenylnon-2-en-1-one
CID 57359358
4-(1-phenylpent-1-enyl)phenol
CID 57219514
methyl 8,8-diphenyloct-7-enoate
CID 13104337
1-phenylhepta-1,6-dienylbenzene
CID 11021254
2-methylidene-3-phenylpentadec-3-enoic acid
CID 173433736
1-chlorooct-1-enylsulfanylbenzene
CID 73098028
N-decylidenebenzamide
CID 90984528

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-phenyltetradec-1-enylbenzene?
The IUPAC name of sodium;hydride;1-phenyltetradec-1-enylbenzene (CID 173018182) is sodium;hydride;1-phenyltetradec-1-enylbenzene.
What is the SMILES notation for sodium;hydride;1-phenyltetradec-1-enylbenzene?
The canonical SMILES for sodium;hydride;1-phenyltetradec-1-enylbenzene is CCCCCCCCCCCCC=C(c1ccccc1)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-phenyltetradec-1-enylbenzene?
The InChIKey is FQSKARKRMZQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36.Na.H/c1-2-3-4-5-6-7-8-9-10-11-18-23-26(24-19-14-12-15-20-24)25-21-16-13-17-22-25;;/h12-17,19-23H,2-11,18H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;1-phenyltetradec-1-enylbenzene?
sodium;hydride;1-phenyltetradec-1-enylbenzene has a molecular weight of 372.57 g/mol, XLogP of 5.55, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-phenyltetradec-1-enylbenzene is sourced from PubChem (CID 173018182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).