carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium

C15H23O2Pd- — CID 134847077

IUPACcarbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium
SMILESC=C[C@]1(C)CC2(CC[C@H]1C(=C)C=[Pd])OCCO2.[CH3-]
InChIInChI=1S/C14H20O2.CH3.Pd/c1-5-13(4)10-14(15-8-9-16-14)7-6-12(13)11(2)3;;/h2,5,12H,1,3,6-10H2,4H3;1H3;/q;-1;/t12-,13+;;/m0../s1
InChIKeyGRFPDQHHECTLHG-CQSOCPNPSA-N
MW341.77 g/mol
LogP3.08
Rot. Bonds3

About carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium

carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium (PubChem CID 134847077) has the molecular formula C15H23O2Pd- and a molecular weight of 341.77 g/mol. Its IUPAC name is carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium.

Molecular Properties

Compound Namecarbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium
PubChem CID134847077
Molecular FormulaC15H23O2Pd-
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC Namecarbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium
SMILESC=C[C@]1(C)CC2(CC[C@H]1C(=C)C=[Pd])OCCO2.[CH3-]
InChIInChI=1S/C14H20O2.CH3.Pd/c1-5-13(4)10-14(15-8-9-16-14)7-6-12(13)11(2)3;;/h2,5,12H,1,3,6-10H2,4H3;1H3;/q;-1;/t12-,13+;;/m0../s1
InChIKeyGRFPDQHHECTLHG-CQSOCPNPSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium?
The IUPAC name of carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium (CID 134847077) is carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium.
What is the SMILES notation for carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium?
The canonical SMILES for carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium is C=C[C@]1(C)CC2(CC[C@H]1C(=C)C=[Pd])OCCO2.[CH3-].
What is the InChIKey of carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium?
The InChIKey is GRFPDQHHECTLHG-CQSOCPNPSA-N. The full InChI is InChI=1S/C14H20O2.CH3.Pd/c1-5-13(4)10-14(15-8-9-16-14)7-6-12(13)11(2)3;;/h2,5,12H,1,3,6-10H2,4H3;1H3;/q;-1;/t12-,13+;;/m0../s1.
What are the key properties of carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium?
carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium has a molecular weight of 341.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium is sourced from PubChem (CID 134847077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).