[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane

C30H37P — CID 15204396

IUPAC[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane
SMILESCCCCCC[C@H](/C=C/[C@H](C)CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37P/c1-3-4-5-9-18-28(27-16-10-6-11-17-27)24-23-26(2)25-31(29-19-12-7-13-20-29)30-21-14-8-15-22-30/h6-8,10-17,19-24,26,28H,3-5,9,18,25H2,1-2H3/b24-23+/t26-,28+/m0/s1
InChIKeyGTUXDMQVPLYJMP-KLGWQTIBSA-N
MW428.60 g/mol
LogP8.07
Rot. Bonds12

About [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane

[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane (PubChem CID 15204396) has the molecular formula C30H37P and a molecular weight of 428.60 g/mol. Its IUPAC name is [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane.

Molecular Properties

Compound Name[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane
PubChem CID15204396
Molecular FormulaC30H37P
Molecular Weight428.60 g/mol
Exact Mass428.26
IUPAC Name[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane
SMILESCCCCCC[C@H](/C=C/[C@H](C)CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37P/c1-3-4-5-9-18-28(27-16-10-6-11-17-27)24-23-26(2)25-31(29-19-12-7-13-20-29)30-21-14-8-15-22-30/h6-8,10-17,19-24,26,28H,3-5,9,18,25H2,1-2H3/b24-23+/t26-,28+/m0/s1
InChIKeyGTUXDMQVPLYJMP-KLGWQTIBSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
2-phenylnonanethial
CID 141351724
2-phenyldecanethial
CID 141351719
[(Z)-5-methylundec-3-enyl]-diphenylphosphane
CID 15204394
1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane
CID 20520959
oct-2-en-4-ylbenzene
CID 73177891
octan-2-yl(diphenyl)phosphane
CID 18359504
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(1R)-1-phenyloctan-1-ol
CID 12794259
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
1-phenyldecan-1-amine
CID 43175860

Frequently Asked Questions

What is the IUPAC name of [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane?
The IUPAC name of [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane (CID 15204396) is [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane.
What is the SMILES notation for [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane?
The canonical SMILES for [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane is CCCCCC[C@H](/C=C/[C@H](C)CP(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane?
The InChIKey is GTUXDMQVPLYJMP-KLGWQTIBSA-N. The full InChI is InChI=1S/C30H37P/c1-3-4-5-9-18-28(27-16-10-6-11-17-27)24-23-26(2)25-31(29-19-12-7-13-20-29)30-21-14-8-15-22-30/h6-8,10-17,19-24,26,28H,3-5,9,18,25H2,1-2H3/b24-23+/t26-,28+/m0/s1.
What are the key properties of [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane?
[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane has a molecular weight of 428.60 g/mol, XLogP of 8.07, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane is sourced from PubChem (CID 15204396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).