(E)-pent-3-en-1-ol;trioctylphosphane

C29H61OP — CID 18364001

IUPAC(E)-pent-3-en-1-ol;trioctylphosphane
SMILESC/C=C/CCO.CCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P.C5H10O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2-3-4-5-6/h4-24H2,1-3H3;2-3,6H,4-5H2,1H3/b;3-2+
InChIKeyOBHYMBHVSGHRMO-ZPYUXNTASA-N
MW456.78 g/mol
LogP10.49
Rot. Bonds23

About (E)-pent-3-en-1-ol;trioctylphosphane

(E)-pent-3-en-1-ol;trioctylphosphane (PubChem CID 18364001) has the molecular formula C29H61OP and a molecular weight of 456.78 g/mol. Its IUPAC name is (E)-pent-3-en-1-ol;trioctylphosphane.

Molecular Properties

Compound Name(E)-pent-3-en-1-ol;trioctylphosphane
PubChem CID18364001
Molecular FormulaC29H61OP
Molecular Weight456.78 g/mol
Exact Mass456.45
IUPAC Name(E)-pent-3-en-1-ol;trioctylphosphane
SMILESC/C=C/CCO.CCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P.C5H10O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2-3-4-5-6/h4-24H2,1-3H3;2-3,6H,4-5H2,1H3/b;3-2+
InChIKeyOBHYMBHVSGHRMO-ZPYUXNTASA-N
XLogP10.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-non-7-enyl]-dipropylphosphane
CID 22172141
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
(E)-heptadec-3-en-1-ol
CID 170849265
heptadec-3-en-1-ol
CID 86130004
(Z)-icos-2-ene
CID 5352524
tris(trioctylphosphane);tungsten
CID 158972203
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075

Frequently Asked Questions

What is the IUPAC name of (E)-pent-3-en-1-ol;trioctylphosphane?
The IUPAC name of (E)-pent-3-en-1-ol;trioctylphosphane (CID 18364001) is (E)-pent-3-en-1-ol;trioctylphosphane.
What is the SMILES notation for (E)-pent-3-en-1-ol;trioctylphosphane?
The canonical SMILES for (E)-pent-3-en-1-ol;trioctylphosphane is C/C=C/CCO.CCCCCCCCP(CCCCCCCC)CCCCCCCC.
What is the InChIKey of (E)-pent-3-en-1-ol;trioctylphosphane?
The InChIKey is OBHYMBHVSGHRMO-ZPYUXNTASA-N. The full InChI is InChI=1S/C24H51P.C5H10O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2-3-4-5-6/h4-24H2,1-3H3;2-3,6H,4-5H2,1H3/b;3-2+.
What are the key properties of (E)-pent-3-en-1-ol;trioctylphosphane?
(E)-pent-3-en-1-ol;trioctylphosphane has a molecular weight of 456.78 g/mol, XLogP of 10.49, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-3-en-1-ol;trioctylphosphane is sourced from PubChem (CID 18364001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).