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

C10H20ClO3P — CID 164665482

IUPAC4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene
SMILESC=C(CCCl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20ClO3P/c1-8(2)13-15(12,14-9(3)4)10(5)6-7-11/h8-9H,5-7H2,1-4H3
InChIKeyJFSVVOJPSQNKBV-UHFFFAOYSA-N
MW254.69 g/mol
LogP4.17
Rot. Bonds7

About 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene

4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene (PubChem CID 164665482) has the molecular formula C10H20ClO3P and a molecular weight of 254.69 g/mol. Its IUPAC name is 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene.

Molecular Properties

Compound Name4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene
PubChem CID164665482
Molecular FormulaC10H20ClO3P
Molecular Weight254.69 g/mol
Exact Mass254.08
IUPAC Name4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene
SMILESC=C(CCCl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20ClO3P/c1-8(2)13-15(12,14-9(3)4)10(5)6-7-11/h8-9H,5-7H2,1-4H3
InChIKeyJFSVVOJPSQNKBV-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloro-1-methylethyl) isopropenylphosphonate
CID 247502
4-Chloro-2-diethoxyphosphorylbut-1-ene
CID 15751706
(E)-3-chloro-1-diethoxyphosphorylbut-1-ene
CID 14111830
4-Chloro-4-diethoxyphosphorylbut-1-ene
CID 11447487
Bis(1-chloropropan-2-yl) 1-chloroprop-1-en-2-yl phosphate
CID 54554555
1-Chloro-2-[1-chloropropan-2-yl(prop-1-en-2-yloxy)phosphoryl]oxypropane
CID 88828940
3-Chloro-2-di(propan-2-yloxy)phosphorylprop-1-ene
CID 156773784
Butan-2-yloxy(1-chlorobut-1-en-2-yl)phosphinic acid
CID 173458980
4,4-Dichloro-4-di(propan-2-yloxy)phosphorylbut-1-ene
CID 10859185
(E)-1-chloro-4-diethoxyphosphorylbut-1-ene
CID 12489043
5-Chloro-2-di(propan-2-yloxy)phosphorylpent-1-ene
CID 44515128
Dipropan-2-yl (3-chloroprop-2-en-1-yl)phosphonate
CID 71365039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene?
The IUPAC name of 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene (CID 164665482) is 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene.
What is the SMILES notation for 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene?
The canonical SMILES for 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene is C=C(CCCl)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene?
The InChIKey is JFSVVOJPSQNKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClO3P/c1-8(2)13-15(12,14-9(3)4)10(5)6-7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene?
4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene has a molecular weight of 254.69 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-di(propan-2-yloxy)phosphorylbut-1-ene is sourced from PubChem (CID 164665482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).