[(1R)-1-diethoxyphosphorylheptyl]benzene

C17H29O3P — CID 166637247

IUPAC[(1R)-1-diethoxyphosphorylheptyl]benzene
SMILESCCCCCC[C@H](c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H29O3P/c1-4-7-8-12-15-17(16-13-10-9-11-14-16)21(18,19-5-2)20-6-3/h9-11,13-14,17H,4-8,12,15H2,1-3H3/t17-/m1/s1
InChIKeyWPMABXKAQUPKKO-QGZVFWFLSA-N
MW312.39 g/mol
LogP5.96
Rot. Bonds11

About [(1R)-1-diethoxyphosphorylheptyl]benzene

[(1R)-1-diethoxyphosphorylheptyl]benzene (PubChem CID 166637247) has the molecular formula C17H29O3P and a molecular weight of 312.39 g/mol. Its IUPAC name is [(1R)-1-diethoxyphosphorylheptyl]benzene.

Molecular Properties

Compound Name[(1R)-1-diethoxyphosphorylheptyl]benzene
PubChem CID166637247
Molecular FormulaC17H29O3P
Molecular Weight312.39 g/mol
Exact Mass312.19
IUPAC Name[(1R)-1-diethoxyphosphorylheptyl]benzene
SMILESCCCCCC[C@H](c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H29O3P/c1-4-7-8-12-15-17(16-13-10-9-11-14-16)21(18,19-5-2)20-6-3/h9-11,13-14,17H,4-8,12,15H2,1-3H3/t17-/m1/s1
InChIKeyWPMABXKAQUPKKO-QGZVFWFLSA-N
XLogP5.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
2-diethoxyphosphoryl-1-phenylhexan-1-ol
CID 42646641
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
[(1R)-1-diethoxyphosphoryl-2-nitroethyl]benzene
CID 7031986
N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
CID 11315702
1-phenyldodecoxy dihydrogen phosphate
CID 170335090
tris(1-phenylhexyl) phosphate
CID 69250581
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
4-[1-[bis(3,5-ditritiooctadecoxy)phosphoryl]pentyl]phenol
CID 54532484
(2-ethyl-1-phenyldecyl) formate
CID 174631629
1-ethoxydecylbenzene
CID 71423896
1-phenylnonyl formate
CID 174585088

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-diethoxyphosphorylheptyl]benzene?
The IUPAC name of [(1R)-1-diethoxyphosphorylheptyl]benzene (CID 166637247) is [(1R)-1-diethoxyphosphorylheptyl]benzene.
What is the SMILES notation for [(1R)-1-diethoxyphosphorylheptyl]benzene?
The canonical SMILES for [(1R)-1-diethoxyphosphorylheptyl]benzene is CCCCCC[C@H](c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of [(1R)-1-diethoxyphosphorylheptyl]benzene?
The InChIKey is WPMABXKAQUPKKO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29O3P/c1-4-7-8-12-15-17(16-13-10-9-11-14-16)21(18,19-5-2)20-6-3/h9-11,13-14,17H,4-8,12,15H2,1-3H3/t17-/m1/s1.
What are the key properties of [(1R)-1-diethoxyphosphorylheptyl]benzene?
[(1R)-1-diethoxyphosphorylheptyl]benzene has a molecular weight of 312.39 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-diethoxyphosphorylheptyl]benzene is sourced from PubChem (CID 166637247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).