sodium;1-heptadecyl-2-methylbenzene;hydride

C24H43Na — CID 173344564

IUPACsodium;1-heptadecyl-2-methylbenzene;hydride
SMILESCCCCCCCCCCCCCCCCCc1ccccc1C.[H-].[Na+]
InChIInChI=1S/C24H42.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-22-19-18-20-23(24)2;;/h18-20,22H,3-17,21H2,1-2H3;;/q;+1;-1
InChIKeyVOOKQXPFNTUBBD-UHFFFAOYSA-N
MW354.60 g/mol
LogP5.53
Rot. Bonds16

About sodium;1-heptadecyl-2-methylbenzene;hydride

sodium;1-heptadecyl-2-methylbenzene;hydride (PubChem CID 173344564) has the molecular formula C24H43Na and a molecular weight of 354.60 g/mol. Its IUPAC name is sodium;1-heptadecyl-2-methylbenzene;hydride.

Molecular Properties

Compound Namesodium;1-heptadecyl-2-methylbenzene;hydride
PubChem CID173344564
Molecular FormulaC24H43Na
Molecular Weight354.60 g/mol
Exact Mass354.33
IUPAC Namesodium;1-heptadecyl-2-methylbenzene;hydride
SMILESCCCCCCCCCCCCCCCCCc1ccccc1C.[H-].[Na+]
InChIInChI=1S/C24H42.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-22-19-18-20-23(24)2;;/h18-20,22H,3-17,21H2,1-2H3;;/q;+1;-1
InChIKeyVOOKQXPFNTUBBD-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.60
LogP ≤ 55.53
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

1-methyl-2-pentylbenzene
CID 524553
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1-methyl-2-nonylbenzene;2H-triazole
CID 174954534
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
1-[(2-methylphenyl)methyl]-2,3-dioctylbenzene
CID 173103678
1,2-dihexyl-3-methylbenzene
CID 15920121

Frequently Asked Questions

What is the IUPAC name of sodium;1-heptadecyl-2-methylbenzene;hydride?
The IUPAC name of sodium;1-heptadecyl-2-methylbenzene;hydride (CID 173344564) is sodium;1-heptadecyl-2-methylbenzene;hydride.
What is the SMILES notation for sodium;1-heptadecyl-2-methylbenzene;hydride?
The canonical SMILES for sodium;1-heptadecyl-2-methylbenzene;hydride is CCCCCCCCCCCCCCCCCc1ccccc1C.[H-].[Na+].
What is the InChIKey of sodium;1-heptadecyl-2-methylbenzene;hydride?
The InChIKey is VOOKQXPFNTUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-22-19-18-20-23(24)2;;/h18-20,22H,3-17,21H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;1-heptadecyl-2-methylbenzene;hydride?
sodium;1-heptadecyl-2-methylbenzene;hydride has a molecular weight of 354.60 g/mol, XLogP of 5.53, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-heptadecyl-2-methylbenzene;hydride is sourced from PubChem (CID 173344564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).