12-iodododec-2-enyl(triphenyl)phosphanium

C30H37IP+ — CID 174231296

IUPAC12-iodododec-2-enyl(triphenyl)phosphanium
SMILESICCCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37IP/c31-26-18-7-5-3-1-2-4-6-8-19-27-32(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h8-17,19-25H,1-7,18,26-27H2/q+1
InChIKeyBSPRPVDTCHAYDY-UHFFFAOYSA-N
MW555.50 g/mol
LogP8.09
Rot. Bonds14

About 12-iodododec-2-enyl(triphenyl)phosphanium

12-iodododec-2-enyl(triphenyl)phosphanium (PubChem CID 174231296) has the molecular formula C30H37IP+ and a molecular weight of 555.50 g/mol. Its IUPAC name is 12-iodododec-2-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Name12-iodododec-2-enyl(triphenyl)phosphanium
PubChem CID174231296
Molecular FormulaC30H37IP+
Molecular Weight555.50 g/mol
Exact Mass555.17
IUPAC Name12-iodododec-2-enyl(triphenyl)phosphanium
SMILESICCCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37IP/c31-26-18-7-5-3-1-2-4-6-8-19-27-32(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h8-17,19-25H,1-7,18,26-27H2/q+1
InChIKeyBSPRPVDTCHAYDY-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.50
LogP ≤ 58.09
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

10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
12-bromododec-2-enyl(triphenyl)phosphanium chloride
CID 174231391
10-bromodec-2-enyl(triphenyl)phosphanium bromide
CID 174231358
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
4-iodobutyl(triphenyl)phosphanium
CID 16760510
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920

Frequently Asked Questions

What is the IUPAC name of 12-iodododec-2-enyl(triphenyl)phosphanium?
The IUPAC name of 12-iodododec-2-enyl(triphenyl)phosphanium (CID 174231296) is 12-iodododec-2-enyl(triphenyl)phosphanium.
What is the SMILES notation for 12-iodododec-2-enyl(triphenyl)phosphanium?
The canonical SMILES for 12-iodododec-2-enyl(triphenyl)phosphanium is ICCCCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 12-iodododec-2-enyl(triphenyl)phosphanium?
The InChIKey is BSPRPVDTCHAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37IP/c31-26-18-7-5-3-1-2-4-6-8-19-27-32(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h8-17,19-25H,1-7,18,26-27H2/q+1.
What are the key properties of 12-iodododec-2-enyl(triphenyl)phosphanium?
12-iodododec-2-enyl(triphenyl)phosphanium has a molecular weight of 555.50 g/mol, XLogP of 8.09, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-iodododec-2-enyl(triphenyl)phosphanium is sourced from PubChem (CID 174231296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).