1-di(propan-2-yloxy)phosphorylbut-1-ene

C10H21O3P — CID 176894704

IUPAC1-di(propan-2-yloxy)phosphorylbut-1-ene
SMILESCCC=CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21O3P/c1-6-7-8-14(11,12-9(2)3)13-10(4)5/h7-10H,6H2,1-5H3
InChIKeyJTEAPIQDRDXNBX-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.95
Rot. Bonds6

About 1-di(propan-2-yloxy)phosphorylbut-1-ene

1-di(propan-2-yloxy)phosphorylbut-1-ene (PubChem CID 176894704) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphorylbut-1-ene.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphorylbut-1-ene
PubChem CID176894704
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name1-di(propan-2-yloxy)phosphorylbut-1-ene
SMILESCCC=CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21O3P/c1-6-7-8-14(11,12-9(2)3)13-10(4)5/h7-10H,6H2,1-5H3
InChIKeyJTEAPIQDRDXNBX-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.95
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

(E)-1-di(propan-2-yloxy)phosphorylpent-2-en-1-one
CID 125476499
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
(1E,3E)-2,4-bis[di(propan-2-yloxy)phosphoryl]buta-1,3-dien-1-ol
CID 23265977
(Z)-2-bromo-1-di(propan-2-yloxy)phosphorylpent-1-en-3-one
CID 13171574
but-1-enyl(methyl)phosphinic acid
CID 123464058
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924
(E)-3-bromo-4-di(propan-2-yloxy)phosphorylbut-3-en-2-one
CID 13171563
1-[ethoxy(ethyl)phosphoryl]but-1-ene
CID 91043072
N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
CID 170850878
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-dimethylphosphoryloxypropane
CID 12572720

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphorylbut-1-ene?
The IUPAC name of 1-di(propan-2-yloxy)phosphorylbut-1-ene (CID 176894704) is 1-di(propan-2-yloxy)phosphorylbut-1-ene.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphorylbut-1-ene?
The canonical SMILES for 1-di(propan-2-yloxy)phosphorylbut-1-ene is CCC=CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphorylbut-1-ene?
The InChIKey is JTEAPIQDRDXNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-6-7-8-14(11,12-9(2)3)13-10(4)5/h7-10H,6H2,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphorylbut-1-ene?
1-di(propan-2-yloxy)phosphorylbut-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphorylbut-1-ene is sourced from PubChem (CID 176894704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).