7-butylundec-6-en-5-ylphosphane;hydrochloride

C15H32ClP — CID 173009520

IUPAC7-butylundec-6-en-5-ylphosphane;hydrochloride
SMILESCCCCC(=CC(P)CCCC)CCCC.Cl
InChIInChI=1S/C15H31P.ClH/c1-4-7-10-14(11-8-5-2)13-15(16)12-9-6-3;/h13,15H,4-12,16H2,1-3H3;1H
InChIKeyXFVBYIMDUKHOQH-UHFFFAOYSA-N
MW278.85 g/mol
LogP6.15
Rot. Bonds10

About 7-butylundec-6-en-5-ylphosphane;hydrochloride

7-butylundec-6-en-5-ylphosphane;hydrochloride (PubChem CID 173009520) has the molecular formula C15H32ClP and a molecular weight of 278.85 g/mol. Its IUPAC name is 7-butylundec-6-en-5-ylphosphane;hydrochloride.

Molecular Properties

Compound Name7-butylundec-6-en-5-ylphosphane;hydrochloride
PubChem CID173009520
Molecular FormulaC15H32ClP
Molecular Weight278.85 g/mol
Exact Mass278.19
IUPAC Name7-butylundec-6-en-5-ylphosphane;hydrochloride
SMILESCCCCC(=CC(P)CCCC)CCCC.Cl
InChIInChI=1S/C15H31P.ClH/c1-4-7-10-14(11-8-5-2)13-15(16)12-9-6-3;/h13,15H,4-12,16H2,1-3H3;1H
InChIKeyXFVBYIMDUKHOQH-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.85
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(triphenyl)phosphanium;7-butylundec-6-en-5-ylphosphane;chloride;hydrochloride
CID 173220848
7-butylundec-6-en-5-ylazanium chloride
CID 87723846
(E)-3-ethyl-1,1-dimethoxyhept-2-ene
CID 11052356
(3E)-3-ethylideneheptan-1-ol
CID 134993443
methanol;1-phosphanylpentan-1-ol
CID 89485720
7-ethyl-5-propan-2-ylundeca-1,6-diene
CID 173295898
CID 172720711
CID 172720711
5-(ethenylsulfanylmethylidene)nonane
CID 139298116
5-butyldec-5-ene
CID 15367252
6-ethyl-2-methyldec-5-ene
CID 123276587
N-octan-4-ylpentanamide
CID 91803774
tributyl(methyl)phosphanium
CID 2760115

Frequently Asked Questions

What is the IUPAC name of 7-butylundec-6-en-5-ylphosphane;hydrochloride?
The IUPAC name of 7-butylundec-6-en-5-ylphosphane;hydrochloride (CID 173009520) is 7-butylundec-6-en-5-ylphosphane;hydrochloride.
What is the SMILES notation for 7-butylundec-6-en-5-ylphosphane;hydrochloride?
The canonical SMILES for 7-butylundec-6-en-5-ylphosphane;hydrochloride is CCCCC(=CC(P)CCCC)CCCC.Cl.
What is the InChIKey of 7-butylundec-6-en-5-ylphosphane;hydrochloride?
The InChIKey is XFVBYIMDUKHOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31P.ClH/c1-4-7-10-14(11-8-5-2)13-15(16)12-9-6-3;/h13,15H,4-12,16H2,1-3H3;1H.
What are the key properties of 7-butylundec-6-en-5-ylphosphane;hydrochloride?
7-butylundec-6-en-5-ylphosphane;hydrochloride has a molecular weight of 278.85 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylundec-6-en-5-ylphosphane;hydrochloride is sourced from PubChem (CID 173009520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).