8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol

C20H44ClOP — CID 141241231

IUPAC8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
SMILESCCCCP(Cl)(CCCC)(CCCC)CCCCCCCCO
InChIInChI=1S/C20H44ClOP/c1-4-7-17-23(21,18-8-5-2,19-9-6-3)20-15-13-11-10-12-14-16-22/h22H,4-20H2,1-3H3
InChIKeySIQFEWRVTIQHAY-UHFFFAOYSA-N
MW367.00 g/mol
LogP7.43
Rot. Bonds17

About 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol

8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol (PubChem CID 141241231) has the molecular formula C20H44ClOP and a molecular weight of 367.00 g/mol. Its IUPAC name is 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol.

Molecular Properties

Compound Name8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
PubChem CID141241231
Molecular FormulaC20H44ClOP
Molecular Weight367.00 g/mol
Exact Mass366.28
IUPAC Name8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
SMILESCCCCP(Cl)(CCCC)(CCCC)CCCCCCCCO
InChIInChI=1S/C20H44ClOP/c1-4-7-17-23(21,18-8-5-2,19-9-6-3)20-15-13-11-10-12-14-16-22/h22H,4-20H2,1-3H3
InChIKeySIQFEWRVTIQHAY-UHFFFAOYSA-N
XLogP7.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.00
LogP ≤ 57.43
H-Bond Donors ≤ 51
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

4-[chloro-hexadecyl-bis(4-hydroxybutyl)-λ5-phosphanyl]butan-1-ol
CID 139983344
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242

Frequently Asked Questions

What is the IUPAC name of 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol?
The IUPAC name of 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol (CID 141241231) is 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol.
What is the SMILES notation for 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol?
The canonical SMILES for 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol is CCCCP(Cl)(CCCC)(CCCC)CCCCCCCCO.
What is the InChIKey of 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol?
The InChIKey is SIQFEWRVTIQHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44ClOP/c1-4-7-17-23(21,18-8-5-2,19-9-6-3)20-15-13-11-10-12-14-16-22/h22H,4-20H2,1-3H3.
What are the key properties of 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol?
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol has a molecular weight of 367.00 g/mol, XLogP of 7.43, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol is sourced from PubChem (CID 141241231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).