4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene

C11H23O3P — CID 71665160

IUPAC4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene
SMILESC=CC(C)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O3P/c1-7-11(6)8-15(12,13-9(2)3)14-10(4)5/h7,9-11H,1,8H2,2-6H3
InChIKeyVFVUSIKAABWPOR-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.85
Rot. Bonds7

About 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene

4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene (PubChem CID 71665160) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene.

Molecular Properties

Compound Name4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene
PubChem CID71665160
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene
SMILESC=CC(C)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O3P/c1-7-11(6)8-15(12,13-9(2)3)14-10(4)5/h7,9-11H,1,8H2,2-6H3
InChIKeyVFVUSIKAABWPOR-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
Phosphinic acid, diallyl-, isopropyl ester
CID 120310
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
CID 12843905
Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
4-bis[(E)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11586551
4-Bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
CID 11600958
4-Bis(ethenyl)phosphoryloxypent-1-ene
CID 11636947
4-bis[(Z)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11651422
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970

Frequently Asked Questions

What is the IUPAC name of 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene?
The IUPAC name of 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene (CID 71665160) is 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene.
What is the SMILES notation for 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene?
The canonical SMILES for 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene is C=CC(C)CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene?
The InChIKey is VFVUSIKAABWPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-7-11(6)8-15(12,13-9(2)3)14-10(4)5/h7,9-11H,1,8H2,2-6H3.
What are the key properties of 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene?
4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene has a molecular weight of 234.28 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene is sourced from PubChem (CID 71665160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).