2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene

C12H25O3P — CID 139894419

IUPAC2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene
SMILESC=C(C(C)(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25O3P/c1-9(2)14-16(13,15-10(3)4)11(5)12(6,7)8/h9-10H,5H2,1-4,6-8H3
InChIKeyAJJLKFJOEBJOOT-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.59
Rot. Bonds5

About 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene

2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene (PubChem CID 139894419) has the molecular formula C12H25O3P and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene
PubChem CID139894419
Molecular FormulaC12H25O3P
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene
SMILESC=C(C(C)(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25O3P/c1-9(2)14-16(13,15-10(3)4)11(5)12(6,7)8/h9-10H,5H2,1-4,6-8H3
InChIKeyAJJLKFJOEBJOOT-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.59
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

Dipropan-2-yl propadienylphosphonate
CID 23270102
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
CID 12843905
2-Diethoxyphosphorylbut-1-ene
CID 11844799
2-Diethoxyphosphoryl-3-methylbut-1-ene
CID 19006548
2-Diethoxyphosphoryl-3,3-dimethylbut-1-ene
CID 23421664
Dipropan-2-yl (3-methylbuta-1,2-dien-1-yl)phosphonate
CID 12525103
Dipropan-2-yl prop-1-en-2-ylphosphonate
CID 12835486
(E)-1-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene
CID 101157517
2-Diethoxyphosphorylhexa-2,3-diene
CID 135064822
1-Di(propan-2-yloxy)phosphoryl-4-methylpenta-1,2-diene
CID 13644710
2-[Tert-butyl(propa-1,2-dienoxy)phosphoryl]oxy-2-methylpropane
CID 57087411

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene?
The IUPAC name of 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene (CID 139894419) is 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene?
The canonical SMILES for 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene is C=C(C(C)(C)C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene?
The InChIKey is AJJLKFJOEBJOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O3P/c1-9(2)14-16(13,15-10(3)4)11(5)12(6,7)8/h9-10H,5H2,1-4,6-8H3.
What are the key properties of 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene?
2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene has a molecular weight of 248.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene is sourced from PubChem (CID 139894419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).