4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene

C9H18ClO3P — CID 14086643

IUPAC4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene
SMILESC=C(C)CCOP(=O)(Cl)OCC(C)C
InChIInChI=1S/C9H18ClO3P/c1-8(2)5-6-12-14(10,11)13-7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyOAVYFZDEAIMTPV-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.99
Rot. Bonds7

About 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene

4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene (PubChem CID 14086643) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene.

Molecular Properties

Compound Name4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene
PubChem CID14086643
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene
SMILESC=C(C)CCOP(=O)(Cl)OCC(C)C
InChIInChI=1S/C9H18ClO3P/c1-8(2)5-6-12-14(10,11)13-7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyOAVYFZDEAIMTPV-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.99
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

3-Methylbut-3-en-1-yl phosphate
CID 44123422
[Ethoxy(3-methylbut-3-enoxy)phosphoryl] ethyl 3-methylbut-3-enyl phosphate
CID 14086649
[3-Methylbut-3-enoxy(2-methylpropoxy)phosphoryl] 3-methylbut-3-enyl 2-methylpropyl phosphate
CID 14086652
Diethoxyphosphoryl ethyl 3-methylbut-3-enyl phosphate
CID 14086660
Dipropoxyphosphoryl 3-methylbut-3-enyl propyl phosphate
CID 14086661
Bis(2-methylpropoxy)phosphoryl 3-methylbut-3-enyl 2-methylpropyl phosphate
CID 14086663
Dimethyl 3-methylbut-3-en-1-yl phosphate
CID 14759800
2-Diethoxyphosphoryl-3-methylbut-1-ene
CID 19006548
4-[Chloro(ethoxy)phosphoryl]oxy-2-methylbut-1-ene
CID 14086640
4-[Chloro(propoxy)phosphoryl]oxy-2-methylbut-1-ene
CID 14086641
4-[Butoxy(chloro)phosphoryl]oxy-2-methylbut-1-ene
CID 14086642
4-[Chloro(propan-2-yloxy)phosphoryl]oxy-2-methylbut-1-ene
CID 14086653

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene?
The IUPAC name of 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene (CID 14086643) is 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene.
What is the SMILES notation for 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene?
The canonical SMILES for 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene is C=C(C)CCOP(=O)(Cl)OCC(C)C.
What is the InChIKey of 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene?
The InChIKey is OAVYFZDEAIMTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-8(2)5-6-12-14(10,11)13-7-9(3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene?
4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene has a molecular weight of 240.67 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(2-methylpropoxy)phosphoryl]oxy-2-methylbut-1-ene is sourced from PubChem (CID 14086643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).