1,1-dichloro-1-diethoxyphosphorylheptan-2-ol

C11H23Cl2O4P — CID 23128735

IUPAC1,1-dichloro-1-diethoxyphosphorylheptan-2-ol
SMILESCCCCCC(O)C(Cl)(Cl)P(=O)(OCC)OCC
InChIInChI=1S/C11H23Cl2O4P/c1-4-7-8-9-10(14)11(12,13)18(15,16-5-2)17-6-3/h10,14H,4-9H2,1-3H3
InChIKeyUBGUZBBUXDAKTJ-UHFFFAOYSA-N
MW321.18 g/mol
LogP4.33
Rot. Bonds10

About 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol

1,1-dichloro-1-diethoxyphosphorylheptan-2-ol (PubChem CID 23128735) has the molecular formula C11H23Cl2O4P and a molecular weight of 321.18 g/mol. Its IUPAC name is 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol.

Molecular Properties

Compound Name1,1-dichloro-1-diethoxyphosphorylheptan-2-ol
PubChem CID23128735
Molecular FormulaC11H23Cl2O4P
Molecular Weight321.18 g/mol
Exact Mass320.07
IUPAC Name1,1-dichloro-1-diethoxyphosphorylheptan-2-ol
SMILESCCCCCC(O)C(Cl)(Cl)P(=O)(OCC)OCC
InChIInChI=1S/C11H23Cl2O4P/c1-4-7-8-9-10(14)11(12,13)18(15,16-5-2)17-6-3/h10,14H,4-9H2,1-3H3
InChIKeyUBGUZBBUXDAKTJ-UHFFFAOYSA-N
XLogP4.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-1,1-difluoro-2-methylundecane
CID 15272233
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
1-diethoxyphosphoryldodecan-2-ol
CID 10448817
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
2,2-bis(hydroxymethyl)tridecane-1,3-diol;phosphono dihydrogen phosphate
CID 159732665
3-methoxy-3-methylnonan-4-ol
CID 116751924
2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol
CID 10761554
ethyl 2-diethoxyphosphoryltridecanoate
CID 56931385
ethyl (2S)-2-diethoxyphosphorylhexadecanoate
CID 98633198
1-[[dichloro(dipentoxyphosphoryl)methyl]-pentoxyphosphoryl]oxypentane
CID 14957291

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol?
The IUPAC name of 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol (CID 23128735) is 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol.
What is the SMILES notation for 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol?
The canonical SMILES for 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol is CCCCCC(O)C(Cl)(Cl)P(=O)(OCC)OCC.
What is the InChIKey of 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol?
The InChIKey is UBGUZBBUXDAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl2O4P/c1-4-7-8-9-10(14)11(12,13)18(15,16-5-2)17-6-3/h10,14H,4-9H2,1-3H3.
What are the key properties of 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol?
1,1-dichloro-1-diethoxyphosphorylheptan-2-ol has a molecular weight of 321.18 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-diethoxyphosphorylheptan-2-ol is sourced from PubChem (CID 23128735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).