4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)

C8H12O2Ti — CID 162256145

IUPAC4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)
SMILESC=CC1CC=CCC1.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C8H12.2O.Ti/c1-2-8-6-4-3-5-7-8;;;/h2-4,8H,1,5-7H2;;;/q;2*-2;+4
InChIKeyFSEOJWNEKRWSDY-UHFFFAOYSA-N
MW188.05 g/mol
LogP2.29
Rot. Bonds1

About 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)

4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+) (PubChem CID 162256145) has the molecular formula C8H12O2Ti and a molecular weight of 188.05 g/mol. Its IUPAC name is 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+).

Molecular Properties

Compound Name4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)
PubChem CID162256145
Molecular FormulaC8H12O2Ti
Molecular Weight188.05 g/mol
Exact Mass188.03
IUPAC Name4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)
SMILESC=CC1CC=CCC1.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C8H12.2O.Ti/c1-2-8-6-4-3-5-7-8;;;/h2-4,8H,1,5-7H2;;;/q;2*-2;+4
InChIKeyFSEOJWNEKRWSDY-UHFFFAOYSA-N
XLogP2.29
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.05
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethenylcyclohexene;hexa-1,5-diene
CID 18984285
6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene
CID 131710320
6-ethenyl-4-ethylcyclooctene
CID 123640243
(4S)-4-[(1E,3E)-hexa-1,3,5-trienyl]cyclohexene
CID 125492551
1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol
CID 156633828
1-[(E)-2-cyclohex-3-en-1-ylethenyl]-3-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;4-ethenylcyclohexene;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 158812642
4-[(E)-but-1-enyl]cyclohexene
CID 21245549
1-cyclohex-3-en-1-ylpent-4-en-2-one
CID 12734511
4-[(E)-pent-1-enyl]cyclohexene
CID 127260693
4-pent-1-enylcyclohexene
CID 54361712
buta-1,3-diene;4-(cyclohex-3-en-1-ylmethyl)cyclohexene;4-prop-2-enylcyclohexene
CID 165057381
1-cyclohex-3-en-1-ylbut-3-en-2-one
CID 130029424

Frequently Asked Questions

What is the IUPAC name of 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)?
The IUPAC name of 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+) (CID 162256145) is 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+).
What is the SMILES notation for 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)?
The canonical SMILES for 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+) is C=CC1CC=CCC1.[O-2].[O-2].[Ti+4].
What is the InChIKey of 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)?
The InChIKey is FSEOJWNEKRWSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.2O.Ti/c1-2-8-6-4-3-5-7-8;;;/h2-4,8H,1,5-7H2;;;/q;2*-2;+4.
What are the key properties of 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+)?
4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+) has a molecular weight of 188.05 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylcyclohexene;bis(oxygen(2-));titanium(4+) is sourced from PubChem (CID 162256145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).