4-(1,1-diethoxypropyl)dodecyl-diethylphosphane

C23H49O2P — CID 152691310

IUPAC4-(1,1-diethoxypropyl)dodecyl-diethylphosphane
SMILESCCCCCCCCC(CCCP(CC)CC)C(CC)(OCC)OCC
InChIInChI=1S/C23H49O2P/c1-7-13-14-15-16-17-19-22(20-18-21-26(11-5)12-6)23(8-2,24-9-3)25-10-4/h22H,7-21H2,1-6H3
InChIKeyZPPVWNODGPZQCT-UHFFFAOYSA-N
MW388.62 g/mol
LogP7.83
Rot. Bonds19

About 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane

4-(1,1-diethoxypropyl)dodecyl-diethylphosphane (PubChem CID 152691310) has the molecular formula C23H49O2P and a molecular weight of 388.62 g/mol. Its IUPAC name is 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane.

Molecular Properties

Compound Name4-(1,1-diethoxypropyl)dodecyl-diethylphosphane
PubChem CID152691310
Molecular FormulaC23H49O2P
Molecular Weight388.62 g/mol
Exact Mass388.35
IUPAC Name4-(1,1-diethoxypropyl)dodecyl-diethylphosphane
SMILESCCCCCCCCC(CCCP(CC)CC)C(CC)(OCC)OCC
InChIInChI=1S/C23H49O2P/c1-7-13-14-15-16-17-19-22(20-18-21-26(11-5)12-6)23(8-2,24-9-3)25-10-4/h22H,7-21H2,1-6H3
InChIKeyZPPVWNODGPZQCT-UHFFFAOYSA-N
XLogP7.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.62
LogP ≤ 57.83
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4,4-diethoxy-5-propyltridecane
CID 152734568
3,3-dibutoxy-4-(3-methoxypropyl)dodecane
CID 158251211
3,3-bis(2-methoxyethoxy)-4-propyldodecane
CID 151863987
5,5-diethoxy-6-ethyltetradecane
CID 150494826
4,4-dimethoxy-5-propyltridecane
CID 151317508
(2,2-diethoxy-3-ethylundecyl)benzene
CID 151495394
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
ethyl-di(tetradecyl)phosphane
CID 89485353
3-[1,1-di(propan-2-yloxy)propyl]undecane-1-thiol
CID 150466211
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
2-ethoxy-2-methylundecan-3-amine
CID 116726130

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane?
The IUPAC name of 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane (CID 152691310) is 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane.
What is the SMILES notation for 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane?
The canonical SMILES for 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane is CCCCCCCCC(CCCP(CC)CC)C(CC)(OCC)OCC.
What is the InChIKey of 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane?
The InChIKey is ZPPVWNODGPZQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49O2P/c1-7-13-14-15-16-17-19-22(20-18-21-26(11-5)12-6)23(8-2,24-9-3)25-10-4/h22H,7-21H2,1-6H3.
What are the key properties of 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane?
4-(1,1-diethoxypropyl)dodecyl-diethylphosphane has a molecular weight of 388.62 g/mol, XLogP of 7.83, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-diethoxypropyl)dodecyl-diethylphosphane is sourced from PubChem (CID 152691310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).