cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium

C34H60P2Ru-6 — CID 90110535

IUPACcyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium
SMILESCCCCCCP(CCCCCC)c1ccc[c-]1P(CCCCCC)CCCCCC.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C29H55P2.C5H5.Ru/c1-5-9-13-17-24-30(25-18-14-10-6-2)28-22-21-23-29(28)31(26-19-15-11-7-3)27-20-16-12-8-4;1-2-4-5-3-1;/h21-23H,5-20,24-27H2,1-4H3;1-5H;/q-1;-5;
InChIKeyDYAVITNTIGKTSZ-UHFFFAOYSA-N
MW631.87 g/mol
LogP11.34
Rot. Bonds22

About cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium

cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium (PubChem CID 90110535) has the molecular formula C34H60P2Ru-6 and a molecular weight of 631.87 g/mol. Its IUPAC name is cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium.

Molecular Properties

Compound Namecyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium
PubChem CID90110535
Molecular FormulaC34H60P2Ru-6
Molecular Weight631.87 g/mol
Exact Mass632.32
IUPAC Namecyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium
SMILESCCCCCCP(CCCCCC)c1ccc[c-]1P(CCCCCC)CCCCCC.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C29H55P2.C5H5.Ru/c1-5-9-13-17-24-30(25-18-14-10-6-2)28-22-21-23-29(28)31(26-19-15-11-7-3)27-20-16-12-8-4;1-2-4-5-3-1;/h21-23H,5-20,24-27H2,1-4H3;1-5H;/q-1;-5;
InChIKeyDYAVITNTIGKTSZ-UHFFFAOYSA-N
XLogP11.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.87
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;(2-dioctylphosphanylcyclopenta-2,4-dien-1-yl)-dioctylphosphane;titanium
CID 90109233
cyclopentane;(2-dioctylphosphanylcyclopenta-2,4-dien-1-yl)-dioctylphosphane;iron
CID 90111916
cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium
CID 90109671
cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;hafnium
CID 90108893
cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium
CID 90111832
dipentyl(phenyl)phosphane
CID 3085487
(2-methylphenyl)-dioctylphosphane
CID 70128590
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
cyclopentane;iron;1-(2-octadecanoylcyclopenta-2,4-dien-1-yl)octadecan-1-one
CID 174342086
1-heptylphosphol-2-amine
CID 173085045
icosyl(methoxy)phosphinous acid
CID 71531002
cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene
CID 175437566

Frequently Asked Questions

What is the IUPAC name of cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium?
The IUPAC name of cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium (CID 90110535) is cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium.
What is the SMILES notation for cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium?
The canonical SMILES for cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium is CCCCCCP(CCCCCC)c1ccc[c-]1P(CCCCCC)CCCCCC.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium?
The InChIKey is DYAVITNTIGKTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55P2.C5H5.Ru/c1-5-9-13-17-24-30(25-18-14-10-6-2)28-22-21-23-29(28)31(26-19-15-11-7-3)27-20-16-12-8-4;1-2-4-5-3-1;/h21-23H,5-20,24-27H2,1-4H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium?
cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium has a molecular weight of 631.87 g/mol, XLogP of 11.34, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium is sourced from PubChem (CID 90110535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).