2-diethoxyphosphoryl-3,3-dimethylbut-1-ene

C10H21O3P — CID 23421664

IUPAC2-diethoxyphosphoryl-3,3-dimethylbut-1-ene
SMILESC=C(C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-7-12-14(11,13-8-2)9(3)10(4,5)6/h3,7-8H2,1-2,4-6H3
InChIKeyWMIIINLKXMCLJR-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.81
Rot. Bonds5

About 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene

2-diethoxyphosphoryl-3,3-dimethylbut-1-ene (PubChem CID 23421664) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-3,3-dimethylbut-1-ene
PubChem CID23421664
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name2-diethoxyphosphoryl-3,3-dimethylbut-1-ene
SMILESC=C(C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-7-12-14(11,13-8-2)9(3)10(4,5)6/h3,7-8H2,1-2,4-6H3
InChIKeyWMIIINLKXMCLJR-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
5,5-Dimethylhexa-2,3-dienyl diethyl phosphate
CID 11242468
2-Diethoxyphosphorylbut-1-ene
CID 11844799
2-Diethoxyphosphoryl-3-methylbut-1-ene
CID 19006548
4-Diethoxyphosphorylpenta-1,2-diene
CID 12534453
5-Diethoxyphosphoryl-2-methylhexa-2,3-diene
CID 12534457
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
3-Diethoxyphosphorylhexa-1,2,5-triene
CID 25215347
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
The IUPAC name of 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene (CID 23421664) is 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene.
What is the SMILES notation for 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
The canonical SMILES for 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene is C=C(C(C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
The InChIKey is WMIIINLKXMCLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-7-12-14(11,13-8-2)9(3)10(4,5)6/h3,7-8H2,1-2,4-6H3.
What are the key properties of 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene?
2-diethoxyphosphoryl-3,3-dimethylbut-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-3,3-dimethylbut-1-ene is sourced from PubChem (CID 23421664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).