bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium

C20H34Cl4O3P+ — CID 173453852

IUPACbis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium
SMILESCCC(Cl)CC=C(CC(Cl)CC)O[P+](=O)OC(=CCC(Cl)CC)CC(Cl)CC
InChIInChI=1S/C20H34Cl4O3P/c1-5-15(21)9-11-19(13-17(23)7-3)26-28(25)27-20(14-18(24)8-4)12-10-16(22)6-2/h11-12,15-18H,5-10,13-14H2,1-4H3/q+1
InChIKeyHQIAUXXIWJULPE-UHFFFAOYSA-N
MW495.28 g/mol
LogP9.07
Rot. Bonds16

About bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium

bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium (PubChem CID 173453852) has the molecular formula C20H34Cl4O3P+ and a molecular weight of 495.28 g/mol. Its IUPAC name is bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium
PubChem CID173453852
Molecular FormulaC20H34Cl4O3P+
Molecular Weight495.28 g/mol
Exact Mass493.10
IUPAC Namebis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium
SMILESCCC(Cl)CC=C(CC(Cl)CC)O[P+](=O)OC(=CCC(Cl)CC)CC(Cl)CC
InChIInChI=1S/C20H34Cl4O3P/c1-5-15(21)9-11-19(13-17(23)7-3)26-28(25)27-20(14-18(24)8-4)12-10-16(22)6-2/h11-12,15-18H,5-10,13-14H2,1-4H3/q+1
InChIKeyHQIAUXXIWJULPE-UHFFFAOYSA-N
XLogP9.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.28
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-(3-chloropentanoyloxy)heptyl 3-chloropentanoate
CID 146451348
chloromethyl 3-chloropentanoate
CID 525204
(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978
oxo-bis(1,1,2-trichlorobutoxy)phosphanium
CID 22748458
2,5-dichloro-3-methylhept-2-ene
CID 123684021
5-chloroheptyl acetate
CID 527863
potassium (E)-6-chlorooct-3-enoate
CID 101279422
3-chloropentyl 2,2-dichloroacetate
CID 13030353
bis(but-1-en-2-yloxy)-oxophosphanium
CID 87234999
1,1,4-trichloropent-1-ene
CID 23263214
bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium
CID 22140109
butoxy-(dichloromethyl)-oxophosphanium
CID 154120622

Frequently Asked Questions

What is the IUPAC name of bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium?
The IUPAC name of bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium (CID 173453852) is bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium.
What is the SMILES notation for bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium?
The canonical SMILES for bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium is CCC(Cl)CC=C(CC(Cl)CC)O[P+](=O)OC(=CCC(Cl)CC)CC(Cl)CC.
What is the InChIKey of bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium?
The InChIKey is HQIAUXXIWJULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34Cl4O3P/c1-5-15(21)9-11-19(13-17(23)7-3)26-28(25)27-20(14-18(24)8-4)12-10-16(22)6-2/h11-12,15-18H,5-10,13-14H2,1-4H3/q+1.
What are the key properties of bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium?
bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium has a molecular weight of 495.28 g/mol, XLogP of 9.07, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium is sourced from PubChem (CID 173453852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).