chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane

C38H78ClP — CID 139840774

IUPACchloro-(10,10-dibutyltetradecyl)-hexadecylphosphane
SMILESCCCCCCCCCCCCCCCCP(Cl)CCCCCCCCCC(CCCC)(CCCC)CCCC
InChIInChI=1S/C38H78ClP/c1-5-9-13-14-15-16-17-18-19-20-21-24-27-30-36-40(39)37-31-28-25-22-23-26-29-35-38(32-10-6-2,33-11-7-3)34-12-8-4/h5-37H2,1-4H3
InChIKeyVNRJSLBTRZVZJE-UHFFFAOYSA-N
MW601.47 g/mol
LogP15.78
Rot. Bonds34

About chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane

chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane (PubChem CID 139840774) has the molecular formula C38H78ClP and a molecular weight of 601.47 g/mol. Its IUPAC name is chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane.

Molecular Properties

Compound Namechloro-(10,10-dibutyltetradecyl)-hexadecylphosphane
PubChem CID139840774
Molecular FormulaC38H78ClP
Molecular Weight601.47 g/mol
Exact Mass600.55
IUPAC Namechloro-(10,10-dibutyltetradecyl)-hexadecylphosphane
SMILESCCCCCCCCCCCCCCCCP(Cl)CCCCCCCCCC(CCCC)(CCCC)CCCC
InChIInChI=1S/C38H78ClP/c1-5-9-13-14-15-16-17-18-19-20-21-24-27-30-36-40(39)37-31-28-25-22-23-26-29-35-38(32-10-6-2,33-11-7-3)34-12-8-4/h5-37H2,1-4H3
InChIKeyVNRJSLBTRZVZJE-UHFFFAOYSA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.47
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10,10-dibutylicosane
CID 151498539
chloro-hexyl-tetradecylphosphane
CID 141135276
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
6,6-dipentylundecane
CID 19690398
5-(chloromethyl)-5-ethyldodecane
CID 66036047
5-(chloromethyl)-5-ethyltetradecane
CID 66036048
7-butyl-7-ethyltetradecane
CID 174665936
4,4-dibutyldodecan-1-ol
CID 87374441
5,5-dibutylhexadecane;phosphoric acid
CID 175353536

Frequently Asked Questions

What is the IUPAC name of chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane?
The IUPAC name of chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane (CID 139840774) is chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane.
What is the SMILES notation for chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane?
The canonical SMILES for chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane is CCCCCCCCCCCCCCCCP(Cl)CCCCCCCCCC(CCCC)(CCCC)CCCC.
What is the InChIKey of chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane?
The InChIKey is VNRJSLBTRZVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78ClP/c1-5-9-13-14-15-16-17-18-19-20-21-24-27-30-36-40(39)37-31-28-25-22-23-26-29-35-38(32-10-6-2,33-11-7-3)34-12-8-4/h5-37H2,1-4H3.
What are the key properties of chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane?
chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane has a molecular weight of 601.47 g/mol, XLogP of 15.78, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane is sourced from PubChem (CID 139840774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).