2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol

C30H65OP — CID 87899766

IUPAC2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol
SMILESCCCCCCCCCCP(CC)(CCO)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H65OP/c1-5-9-12-15-18-19-22-25-29-32(8-4,30-26-31,27-23-20-16-13-10-6-2)28-24-21-17-14-11-7-3/h31H,5-30H2,1-4H3
InChIKeyWYZQLHCWAMQGKX-UHFFFAOYSA-N
MW472.82 g/mol
LogP10.41
Rot. Bonds26

About 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol

2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol (PubChem CID 87899766) has the molecular formula C30H65OP and a molecular weight of 472.82 g/mol. Its IUPAC name is 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol.

Molecular Properties

Compound Name2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol
PubChem CID87899766
Molecular FormulaC30H65OP
Molecular Weight472.82 g/mol
Exact Mass472.48
IUPAC Name2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol
SMILESCCCCCCCCCCP(CC)(CCO)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H65OP/c1-5-9-12-15-18-19-22-25-29-32(8-4,30-26-31,27-23-20-16-13-10-6-2)28-24-21-17-14-11-7-3/h31H,5-30H2,1-4H3
InChIKeyWYZQLHCWAMQGKX-UHFFFAOYSA-N
XLogP10.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 510.41
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

decane;propan-1-ol
CID 157421705
4-[chloro-hexadecyl-bis(4-hydroxybutyl)-λ5-phosphanyl]butan-1-ol
CID 139983344
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
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol?
The IUPAC name of 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol (CID 87899766) is 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol.
What is the SMILES notation for 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol?
The canonical SMILES for 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol is CCCCCCCCCCP(CC)(CCO)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol?
The InChIKey is WYZQLHCWAMQGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H65OP/c1-5-9-12-15-18-19-22-25-29-32(8-4,30-26-31,27-23-20-16-13-10-6-2)28-24-21-17-14-11-7-3/h31H,5-30H2,1-4H3.
What are the key properties of 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol?
2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol has a molecular weight of 472.82 g/mol, XLogP of 10.41, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decyl-ethyl-dioctyl-λ5-phosphanyl)ethanol is sourced from PubChem (CID 87899766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).