[(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)

C16H20O2Ru+ — CID 139255752

IUPAC[(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)
SMILESCCCO[C@]12CCC[C@@]1(c1ccccc1)CC(=[Ru+])O2
InChIInChI=1S/C16H20O2.Ru/c1-2-12-17-16-10-6-9-15(16,11-13-18-16)14-7-4-3-5-8-14;/h3-5,7-8H,2,6,9-12H2,1H3;/q;+1/t15-,16-;/m0./s1
InChIKeyGUPRNPVGEMQACR-MOGJOVFKSA-N
MW345.40 g/mol
LogP3.33
Rot. Bonds4

About [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)

[(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+) (PubChem CID 139255752) has the molecular formula C16H20O2Ru+ and a molecular weight of 345.40 g/mol. Its IUPAC name is [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+).

Molecular Properties

Compound Name[(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)
PubChem CID139255752
Molecular FormulaC16H20O2Ru+
Molecular Weight345.40 g/mol
Exact Mass346.05
IUPAC Name[(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)
SMILESCCCO[C@]12CCC[C@@]1(c1ccccc1)CC(=[Ru+])O2
InChIInChI=1S/C16H20O2.Ru/c1-2-12-17-16-10-6-9-15(16,11-13-18-16)14-7-4-3-5-8-14;/h3-5,7-8H,2,6,9-12H2,1H3;/q;+1/t15-,16-;/m0./s1
InChIKeyGUPRNPVGEMQACR-MOGJOVFKSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+) with MolForge

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Related Compounds

[(3aS,6aS)-6a-methoxy-3a-phenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+);cyclopenta-1,3-diene;bis(triphenylphosphane)
CID 139255755
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(1-butylcyclobutyl)benzene
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1-benzhydryl-4-phenyl-4-propoxypiperidine
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2-propoxy-3,4-dihydrochromene-2-carboxylic acid
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CID 102302966
CID 102302966
butyl 1-phenylcyclobutane-1-carboxylate
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1-(2-hydroxy-3-phenyl-3-propoxyoxiran-2-yl)ethanone
CID 102070719
1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)?
The IUPAC name of [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+) (CID 139255752) is [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+).
What is the SMILES notation for [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)?
The canonical SMILES for [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+) is CCCO[C@]12CCC[C@@]1(c1ccccc1)CC(=[Ru+])O2.
What is the InChIKey of [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)?
The InChIKey is GUPRNPVGEMQACR-MOGJOVFKSA-N. The full InChI is InChI=1S/C16H20O2.Ru/c1-2-12-17-16-10-6-9-15(16,11-13-18-16)14-7-4-3-5-8-14;/h3-5,7-8H,2,6,9-12H2,1H3;/q;+1/t15-,16-;/m0./s1.
What are the key properties of [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)?
[(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+) has a molecular weight of 345.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+) is sourced from PubChem (CID 139255752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).