iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane

C35H40IPSi — CID 139705505

IUPACiodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane
SMILESC=CCCC[Si]1(c2ccccc2)CCC(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C35H40IPSi/c1-2-3-16-27-38(35-23-14-7-15-24-35)28-25-31(26-29-38)30-37(36,32-17-8-4-9-18-32,33-19-10-5-11-20-33)34-21-12-6-13-22-34/h2,4-15,17-24,31H,1,3,16,25-30H2
InChIKeySHJFDVKQZVQGPV-UHFFFAOYSA-N
MW646.67 g/mol
LogP8.60
Rot. Bonds10

About iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane

iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane (PubChem CID 139705505) has the molecular formula C35H40IPSi and a molecular weight of 646.67 g/mol. Its IUPAC name is iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Nameiodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane
PubChem CID139705505
Molecular FormulaC35H40IPSi
Molecular Weight646.67 g/mol
Exact Mass646.17
IUPAC Nameiodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane
SMILESC=CCCC[Si]1(c2ccccc2)CCC(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C35H40IPSi/c1-2-3-16-27-38(35-23-14-7-15-24-35)28-25-31(26-29-38)30-37(36,32-17-8-4-9-18-32,33-19-10-5-11-20-33)34-21-12-6-13-22-34/h2,4-15,17-24,31H,1,3,16,25-30H2
InChIKeySHJFDVKQZVQGPV-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.67
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane
CID 139918176
9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 58883143
chloro-pent-4-enyl-triphenyl-λ5-phosphane
CID 156636022
bromo-(cyclopentylmethyl)-triphenyl-λ5-phosphane
CID 118283191
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
CID 139792196
1-pent-4-enyl-4-phenylsilinane
CID 173288017
11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
CID 171472226
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl(undec-10-enyl)phosphanium
CID 3716115
4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
CID 86196860
1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane
CID 139725525

Frequently Asked Questions

What is the IUPAC name of iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane?
The IUPAC name of iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane (CID 139705505) is iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane is C=CCCC[Si]1(c2ccccc2)CCC(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane?
The InChIKey is SHJFDVKQZVQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40IPSi/c1-2-3-16-27-38(35-23-14-7-15-24-35)28-25-31(26-29-38)30-37(36,32-17-8-4-9-18-32,33-19-10-5-11-20-33)34-21-12-6-13-22-34/h2,4-15,17-24,31H,1,3,16,25-30H2.
What are the key properties of iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane?
iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane has a molecular weight of 646.67 g/mol, XLogP of 8.60, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[(1-pent-4-enyl-1-phenylsilinan-4-yl)methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 139705505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).