(6-benzyl-5-butyltetradecan-5-yl)arsane

C25H45As — CID 173347264

IUPAC(6-benzyl-5-butyltetradecan-5-yl)arsane
SMILESCCCCCCCCC(Cc1ccccc1)C([AsH2])(CCCC)CCCC
InChIInChI=1S/C25H45As/c1-4-7-10-11-12-16-19-24(22-23-17-14-13-15-18-23)25(26,20-8-5-2)21-9-6-3/h13-15,17-18,24H,4-12,16,19-22,26H2,1-3H3
InChIKeyWLNVFGQYHUSIMW-UHFFFAOYSA-N
MW420.56 g/mol
LogP7.77
Rot. Bonds16

About (6-benzyl-5-butyltetradecan-5-yl)arsane

(6-benzyl-5-butyltetradecan-5-yl)arsane (PubChem CID 173347264) has the molecular formula C25H45As and a molecular weight of 420.56 g/mol. Its IUPAC name is (6-benzyl-5-butyltetradecan-5-yl)arsane.

Molecular Properties

Compound Name(6-benzyl-5-butyltetradecan-5-yl)arsane
PubChem CID173347264
Molecular FormulaC25H45As
Molecular Weight420.56 g/mol
Exact Mass420.27
IUPAC Name(6-benzyl-5-butyltetradecan-5-yl)arsane
SMILESCCCCCCCCC(Cc1ccccc1)C([AsH2])(CCCC)CCCC
InChIInChI=1S/C25H45As/c1-4-7-10-11-12-16-19-24(22-23-17-14-13-15-18-23)25(26,20-8-5-2)21-9-6-3/h13-15,17-18,24H,4-12,16,19-22,26H2,1-3H3
InChIKeyWLNVFGQYHUSIMW-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6-benzyl-5-butyltetradecan-5-yl)arsane;hydrate
CID 173347263
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
3-benzyl-2-methyltridecan-2-amine
CID 11153328
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
CID 173157860
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
azanium;4-benzyl-3-ethylhexadecan-3-ol;chloride
CID 159602432
(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
CID 173157523
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
2-benzyltetradecylbenzene
CID 22920205
2-(1,1,1-trichloro-2-methoxypentan-2-yl)nonylbenzene
CID 152703640
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-5-butyltetradecan-5-yl)arsane?
The IUPAC name of (6-benzyl-5-butyltetradecan-5-yl)arsane (CID 173347264) is (6-benzyl-5-butyltetradecan-5-yl)arsane.
What is the SMILES notation for (6-benzyl-5-butyltetradecan-5-yl)arsane?
The canonical SMILES for (6-benzyl-5-butyltetradecan-5-yl)arsane is CCCCCCCCC(Cc1ccccc1)C([AsH2])(CCCC)CCCC.
What is the InChIKey of (6-benzyl-5-butyltetradecan-5-yl)arsane?
The InChIKey is WLNVFGQYHUSIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45As/c1-4-7-10-11-12-16-19-24(22-23-17-14-13-15-18-23)25(26,20-8-5-2)21-9-6-3/h13-15,17-18,24H,4-12,16,19-22,26H2,1-3H3.
What are the key properties of (6-benzyl-5-butyltetradecan-5-yl)arsane?
(6-benzyl-5-butyltetradecan-5-yl)arsane has a molecular weight of 420.56 g/mol, XLogP of 7.77, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzyl-5-butyltetradecan-5-yl)arsane is sourced from PubChem (CID 173347264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).