9,9-dimethoxynonyl(trityl)phosphane;hydroiodide

C30H40IO2P — CID 175602769

IUPAC9,9-dimethoxynonyl(trityl)phosphane;hydroiodide
SMILESCOC(CCCCCCCCPC(c1ccccc1)(c1ccccc1)c1ccccc1)OC.I
InChIInChI=1S/C30H39O2P.HI/c1-31-29(32-2)24-16-5-3-4-6-17-25-33-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23,29,33H,3-6,16-17,24-25H2,1-2H3;1H
InChIKeyHATYJWYOPDAWML-UHFFFAOYSA-N
MW590.53 g/mol
LogP8.62
Rot. Bonds15

About 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide

9,9-dimethoxynonyl(trityl)phosphane;hydroiodide (PubChem CID 175602769) has the molecular formula C30H40IO2P and a molecular weight of 590.53 g/mol. Its IUPAC name is 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide.

Molecular Properties

Compound Name9,9-dimethoxynonyl(trityl)phosphane;hydroiodide
PubChem CID175602769
Molecular FormulaC30H40IO2P
Molecular Weight590.53 g/mol
Exact Mass590.18
IUPAC Name9,9-dimethoxynonyl(trityl)phosphane;hydroiodide
SMILESCOC(CCCCCCCCPC(c1ccccc1)(c1ccccc1)c1ccccc1)OC.I
InChIInChI=1S/C30H39O2P.HI/c1-31-29(32-2)24-16-5-3-4-6-17-25-33-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23,29,33H,3-6,16-17,24-25H2,1-2H3;1H
InChIKeyHATYJWYOPDAWML-UHFFFAOYSA-N
XLogP8.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.53
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecyl(trityl)phosphane
CID 175018663
1,1-diethoxyheptane;1,1-dimethoxyheptane;1,1-dimethoxyhexylbenzene;hexane
CID 175298511
1-methoxydecoxybenzene
CID 24977925
dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide
CID 173074762
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
1,1,2,2,3-pentabromododecylbenzene
CID 67852937
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039
[(Z)-11,11-dimethoxyundec-4-enyl]iodanuidyl-triphenylphosphanium
CID 165377052
(1-methoxy-2-methyl-1-phenyldecyl)benzene
CID 158531120
12,12-dimethoxydodecan-1-ol
CID 71412944
[1-(13,13-dimethoxy-1-phenylmethoxytridec-2-enoxy)-13,13-dimethoxytridec-2-enoxy]methylbenzene
CID 163287823

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide?
The IUPAC name of 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide (CID 175602769) is 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide.
What is the SMILES notation for 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide?
The canonical SMILES for 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide is COC(CCCCCCCCPC(c1ccccc1)(c1ccccc1)c1ccccc1)OC.I.
What is the InChIKey of 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide?
The InChIKey is HATYJWYOPDAWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O2P.HI/c1-31-29(32-2)24-16-5-3-4-6-17-25-33-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23,29,33H,3-6,16-17,24-25H2,1-2H3;1H.
What are the key properties of 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide?
9,9-dimethoxynonyl(trityl)phosphane;hydroiodide has a molecular weight of 590.53 g/mol, XLogP of 8.62, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethoxynonyl(trityl)phosphane;hydroiodide is sourced from PubChem (CID 175602769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).