(6-methylcyclohex-2-en-1-ylidene)zirconium(2+)

C7H10Zr+2 — CID 161007321

IUPAC(6-methylcyclohex-2-en-1-ylidene)zirconium(2+)
SMILESCC1CCC=CC1=[Zr+2]
InChIInChI=1S/C7H10.Zr/c1-7-5-3-2-4-6-7;/h2-3,7H,4,6H2,1H3;/q;+2
InChIKeyXJAVZBROXPERDT-UHFFFAOYSA-N
MW185.38 g/mol
LogP1.69
Rot. Bonds

About (6-methylcyclohex-2-en-1-ylidene)zirconium(2+)

(6-methylcyclohex-2-en-1-ylidene)zirconium(2+) (PubChem CID 161007321) has the molecular formula C7H10Zr+2 and a molecular weight of 185.38 g/mol. Its IUPAC name is (6-methylcyclohex-2-en-1-ylidene)zirconium(2+).

Molecular Properties

Compound Name(6-methylcyclohex-2-en-1-ylidene)zirconium(2+)
PubChem CID161007321
Molecular FormulaC7H10Zr+2
Molecular Weight185.38 g/mol
Exact Mass183.98
IUPAC Name(6-methylcyclohex-2-en-1-ylidene)zirconium(2+)
SMILESCC1CCC=CC1=[Zr+2]
InChIInChI=1S/C7H10.Zr/c1-7-5-3-2-4-6-7;/h2-3,7H,4,6H2,1H3;/q;+2
InChIKeyXJAVZBROXPERDT-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 11309509
(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one
CID 143687335
1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene
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(3S)-3-methylcyclopentene
CID 11018803
1,7-difluoro-2-methylcyclohepta-1,3-diene
CID 126490285
6-propan-2-ylcyclohex-2-en-1-one
CID 12657624
1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
CID 143189862
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
1-methyl-1,2,5,6-tetrahydronaphthalene
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CID 89060479

Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohex-2-en-1-ylidene)zirconium(2+)?
The IUPAC name of (6-methylcyclohex-2-en-1-ylidene)zirconium(2+) (CID 161007321) is (6-methylcyclohex-2-en-1-ylidene)zirconium(2+).
What is the SMILES notation for (6-methylcyclohex-2-en-1-ylidene)zirconium(2+)?
The canonical SMILES for (6-methylcyclohex-2-en-1-ylidene)zirconium(2+) is CC1CCC=CC1=[Zr+2].
What is the InChIKey of (6-methylcyclohex-2-en-1-ylidene)zirconium(2+)?
The InChIKey is XJAVZBROXPERDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.Zr/c1-7-5-3-2-4-6-7;/h2-3,7H,4,6H2,1H3;/q;+2.
What are the key properties of (6-methylcyclohex-2-en-1-ylidene)zirconium(2+)?
(6-methylcyclohex-2-en-1-ylidene)zirconium(2+) has a molecular weight of 185.38 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohex-2-en-1-ylidene)zirconium(2+) is sourced from PubChem (CID 161007321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).