carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane

C33H46O2PRu+ — CID 23229664

IUPACcarbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane
SMILESC1CCCC1.C=CCO[C-]=C=C(c1ccccc1)c1ccccc1.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[Ru+2]
InChIInChI=1S/C18H15O.C9H21P.C5H10.CO.Ru/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;1-2;/h2-12H,1,14H2;7-9H,1-6H3;1-5H2;;/q-1;;;;+2
InChIKeyPFWKKDPABPYMRY-UHFFFAOYSA-N
MW606.77 g/mol
LogP9.84
Rot. Bonds8

About carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane

carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane (PubChem CID 23229664) has the molecular formula C33H46O2PRu+ and a molecular weight of 606.77 g/mol. Its IUPAC name is carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane.

Molecular Properties

Compound Namecarbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane
PubChem CID23229664
Molecular FormulaC33H46O2PRu+
Molecular Weight606.77 g/mol
Exact Mass607.23
IUPAC Namecarbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane
SMILESC1CCCC1.C=CCO[C-]=C=C(c1ccccc1)c1ccccc1.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[Ru+2]
InChIInChI=1S/C18H15O.C9H21P.C5H10.CO.Ru/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;1-2;/h2-12H,1,14H2;7-9H,1-6H3;1-5H2;;/q-1;;;;+2
InChIKeyPFWKKDPABPYMRY-UHFFFAOYSA-N
XLogP9.84
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 54697932
CID 54697932
carbanide;carbon monoxide;ethenylbenzene;ruthenium(2+);bis(tri(propan-2-yl)phosphane)
CID 10864906
carbon monoxide;osmium;bis(tri(propan-2-yl)phosphane)
CID 11444122
prop-2-enyl 2-benzamidopropanoate
CID 2910482
1-cyclohexylideneprop-1-en-2-ylbenzene
CID 10081457
carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)
CID 11038817
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
CID 84571475
ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
(4,4-dimethyl-3-phenylpenta-1,2-dienylidene)rhodium;ethynylbenzene;bis(tri(propan-2-yl)phosphane)
CID 10930495

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane?
The IUPAC name of carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane (CID 23229664) is carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane.
What is the SMILES notation for carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane?
The canonical SMILES for carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane is C1CCCC1.C=CCO[C-]=C=C(c1ccccc1)c1ccccc1.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[Ru+2].
What is the InChIKey of carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane?
The InChIKey is PFWKKDPABPYMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O.C9H21P.C5H10.CO.Ru/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;1-2;/h2-12H,1,14H2;7-9H,1-6H3;1-5H2;;/q-1;;;;+2.
What are the key properties of carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane?
carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane has a molecular weight of 606.77 g/mol, XLogP of 9.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopentane;(1-phenyl-3-prop-2-enoxypropa-1,2-dienyl)benzene;ruthenium(2+);tri(propan-2-yl)phosphane is sourced from PubChem (CID 23229664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).