dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane

C25H47PS — CID 70250594

IUPACdibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane
SMILESCCCCc1cc(CCCCCP(CCCC)CCCC)sc1CCCC
InChIInChI=1S/C25H47PS/c1-5-9-16-23-22-24(27-25(23)18-10-6-2)17-14-13-15-21-26(19-11-7-3)20-12-8-4/h22H,5-21H2,1-4H3
InChIKeyLQDSKZFATHZRDI-UHFFFAOYSA-N
MW410.69 g/mol
LogP9.23
Rot. Bonds18

About dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane

dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane (PubChem CID 70250594) has the molecular formula C25H47PS and a molecular weight of 410.69 g/mol. Its IUPAC name is dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane.

Molecular Properties

Compound Namedibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane
PubChem CID70250594
Molecular FormulaC25H47PS
Molecular Weight410.69 g/mol
Exact Mass410.31
IUPAC Namedibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane
SMILESCCCCc1cc(CCCCCP(CCCC)CCCC)sc1CCCC
InChIInChI=1S/C25H47PS/c1-5-9-16-23-22-24(27-25(23)18-10-6-2)17-14-13-15-21-26(19-11-7-3)20-12-8-4/h22H,5-21H2,1-4H3
InChIKeyLQDSKZFATHZRDI-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
dibutyl(decyl)phosphane
CID 171559269
4-butyl-11-hexyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
CID 130351831
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
hexyl-octyl-pentylphosphane
CID 90108526
(2-bromo-5-hexylthiophen-3-yl)methanamine
CID 114748653
4,6-dibromo-2-dodecylthieno[2,3-c]thiophene
CID 67499277
3-bromo-5-octylthieno[3,2-b]thiophene
CID 135070013
(1Z,6Z,11Z,16Z)-4,9,14,19-tetrabutyl-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1,4,6,8,11,14,16,18-octaene
CID 11731349
3-butyl-5-[3-[4-butyl-5-(3-butylthiophen-2-yl)thiophen-2-yl]propyl]-2-(3-butylthiophen-2-yl)thiophene
CID 101050196
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane?
The IUPAC name of dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane (CID 70250594) is dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane.
What is the SMILES notation for dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane?
The canonical SMILES for dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane is CCCCc1cc(CCCCCP(CCCC)CCCC)sc1CCCC.
What is the InChIKey of dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane?
The InChIKey is LQDSKZFATHZRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47PS/c1-5-9-16-23-22-24(27-25(23)18-10-6-2)17-14-13-15-21-26(19-11-7-3)20-12-8-4/h22H,5-21H2,1-4H3.
What are the key properties of dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane?
dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane has a molecular weight of 410.69 g/mol, XLogP of 9.23, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane is sourced from PubChem (CID 70250594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).