dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium

C16H33Cl4PZr — CID 174566024

IUPACdec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium
SMILESCCCCC=C(CCCC)P(C(C)C)C(C)C.Cl[Zr](Cl)(Cl)Cl
InChIInChI=1S/C16H33P.4ClH.Zr/c1-7-9-11-13-16(12-10-8-2)17(14(3)4)15(5)6;;;;;/h13-15H,7-12H2,1-6H3;4*1H;/q;;;;;+4/p-4
InChIKeySLNLUETZPWAAEU-UHFFFAOYSA-J
MW489.45 g/mol
LogP9.30
Rot. Bonds9

About dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium

dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium (PubChem CID 174566024) has the molecular formula C16H33Cl4PZr and a molecular weight of 489.45 g/mol. Its IUPAC name is dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium.

Molecular Properties

Compound Namedec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium
PubChem CID174566024
Molecular FormulaC16H33Cl4PZr
Molecular Weight489.45 g/mol
Exact Mass486.01
IUPAC Namedec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium
SMILESCCCCC=C(CCCC)P(C(C)C)C(C)C.Cl[Zr](Cl)(Cl)Cl
InChIInChI=1S/C16H33P.4ClH.Zr/c1-7-9-11-13-16(12-10-8-2)17(14(3)4)15(5)6;;;;;/h13-15H,7-12H2,1-6H3;4*1H;/q;;;;;+4/p-4
InChIKeySLNLUETZPWAAEU-UHFFFAOYSA-J
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 15367252
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CID 123648620
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
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(Z)-1,2-dichlorohept-2-ene
CID 55302648
(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
2,4,5-trimethyldec-5-ene
CID 123184332
calcium bis((Z)-2-butylhept-2-enoate)
CID 146310962
3-propyldodec-3-en-2-ol
CID 71375191
(E)-4-butyl-3-ethylnon-4-en-3-ol
CID 10823146
(Z)-6-ethylundec-5-ene
CID 102395453
(Z)-tetradec-5-en-5-ol
CID 129379563

Frequently Asked Questions

What is the IUPAC name of dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium?
The IUPAC name of dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium (CID 174566024) is dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium.
What is the SMILES notation for dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium?
The canonical SMILES for dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium is CCCCC=C(CCCC)P(C(C)C)C(C)C.Cl[Zr](Cl)(Cl)Cl.
What is the InChIKey of dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium?
The InChIKey is SLNLUETZPWAAEU-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H33P.4ClH.Zr/c1-7-9-11-13-16(12-10-8-2)17(14(3)4)15(5)6;;;;;/h13-15H,7-12H2,1-6H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium?
dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium has a molecular weight of 489.45 g/mol, XLogP of 9.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-en-5-yl-di(propan-2-yl)phosphane;tetrachlorozirconium is sourced from PubChem (CID 174566024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).