11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane

C29H35ClIP — CID 171472226

IUPAC11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
SMILESClCCCCCCCCC=CCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35ClIP/c30-25-17-6-4-2-1-3-5-7-18-26-32(31,27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h7-16,18-24H,1-6,17,25-26H2
InChIKeyRNDHABNIENXADC-UHFFFAOYSA-N
MW576.93 g/mol
LogP8.39
Rot. Bonds13

About 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane

11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane (PubChem CID 171472226) has the molecular formula C29H35ClIP and a molecular weight of 576.93 g/mol. Its IUPAC name is 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
PubChem CID171472226
Molecular FormulaC29H35ClIP
Molecular Weight576.93 g/mol
Exact Mass576.12
IUPAC Name11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
SMILESClCCCCCCCCC=CCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35ClIP/c30-25-17-6-4-2-1-3-5-7-18-26-32(31,27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h7-16,18-24H,1-6,17,25-26H2
InChIKeyRNDHABNIENXADC-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.93
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

chloro-(11-chloroundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472179
chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane
CID 171472172
bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
CID 171472329
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472229
13-bromotridec-2-enyl-chloro-triphenyl-λ5-phosphane
CID 171472228
1,17-dichloroheptadec-8-ene
CID 168864753
chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
CID 171472311
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
(E)-1,10-dichlorodec-5-ene
CID 12889943
buta-1,3-diene;6-chlorohex-1-enylbenzene
CID 173180701
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395

Frequently Asked Questions

What is the IUPAC name of 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane?
The IUPAC name of 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane (CID 171472226) is 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane.
What is the SMILES notation for 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane?
The canonical SMILES for 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane is ClCCCCCCCCC=CCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane?
The InChIKey is RNDHABNIENXADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClIP/c30-25-17-6-4-2-1-3-5-7-18-26-32(31,27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h7-16,18-24H,1-6,17,25-26H2.
What are the key properties of 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane?
11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane has a molecular weight of 576.93 g/mol, XLogP of 8.39, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane is sourced from PubChem (CID 171472226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).