bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)

C25H49OSiZr+2 — CID 23229855

IUPACbis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)
SMILESC1CCCC1.C1CCCC1.C=CC/C(=[C-]\[Si](C)(C)C)CCCC.C=CCO.[Zr+3]
InChIInChI=1S/C12H23Si.2C5H10.C3H6O.Zr/c1-6-8-10-12(9-7-2)11-13(3,4)5;2*1-2-4-5-3-1;1-2-3-4;/h7H,2,6,8-10H2,1,3-5H3;2*1-5H2;2,4H,1,3H2;/q-1;;;;+3
InChIKeyGMEOCLJLMOSTSM-UHFFFAOYSA-N
MW484.98 g/mol
LogP8.42
Rot. Bonds7

About bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)

bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+) (PubChem CID 23229855) has the molecular formula C25H49OSiZr+2 and a molecular weight of 484.98 g/mol. Its IUPAC name is bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+).

Molecular Properties

Compound Namebis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)
PubChem CID23229855
Molecular FormulaC25H49OSiZr+2
Molecular Weight484.98 g/mol
Exact Mass483.26
IUPAC Namebis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)
SMILESC1CCCC1.C1CCCC1.C=CC/C(=[C-]\[Si](C)(C)C)CCCC.C=CCO.[Zr+3]
InChIInChI=1S/C12H23Si.2C5H10.C3H6O.Zr/c1-6-8-10-12(9-7-2)11-13(3,4)5;2*1-2-4-5-3-1;1-2-3-4;/h7H,2,6,8-10H2,1,3-5H3;2*1-5H2;2,4H,1,3H2;/q-1;;;;+3
InChIKeyGMEOCLJLMOSTSM-UHFFFAOYSA-N
XLogP8.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+) with MolForge

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Related Compounds

butan-1-ol;prop-2-en-1-ol
CID 87275291
(E)-5-ethenyl-6-prop-2-enyldec-5-ene
CID 101214127
[(1Z)-2-butyl-3-propan-2-ylidenehexa-1,5-dienyl]-trimethylsilane
CID 11172756
1-dodecyltellanyldodecane;prop-2-en-1-ol
CID 175339180
oxolane;prop-2-en-1-ol
CID 67851867
cyclopentane;hept-1-ene
CID 159296541
trimethyl-[(Z)-1-phenyl-2-prop-2-enylhex-1-enyl]silane
CID 102246919
bis(butan-1-ol);cyclobutane
CID 140562216
(NZ)-N-non-1-en-4-ylidenehydroxylamine
CID 88738841
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277
3,4-dimethylocta-1,3-diene
CID 54003351
(Z)-5-but-3-en-2-yl-6-prop-2-enyldec-5-ene
CID 134993838

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)?
The IUPAC name of bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+) (CID 23229855) is bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+).
What is the SMILES notation for bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)?
The canonical SMILES for bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+) is C1CCCC1.C1CCCC1.C=CC/C(=[C-]\[Si](C)(C)C)CCCC.C=CCO.[Zr+3].
What is the InChIKey of bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)?
The InChIKey is GMEOCLJLMOSTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Si.2C5H10.C3H6O.Zr/c1-6-8-10-12(9-7-2)11-13(3,4)5;2*1-2-4-5-3-1;1-2-3-4;/h7H,2,6,8-10H2,1,3-5H3;2*1-5H2;2,4H,1,3H2;/q-1;;;;+3.
What are the key properties of bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+)?
bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+) has a molecular weight of 484.98 g/mol, XLogP of 8.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);prop-2-en-1-ol;trimethyl(2-prop-2-enylhex-1-enyl)silane;zirconium(3+) is sourced from PubChem (CID 23229855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).