4-ethylcyclohexen-1-olate

C8H13O- — CID 101379350

IUPAC4-ethylcyclohexen-1-olate
SMILESCCC1CC=C([O-])CC1
InChIInChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h5,7,9H,2-4,6H2,1H3/p-1
InChIKeyMFILZGBMIAZKIQ-UHFFFAOYSA-M
MW125.19 g/mol
LogP1.44
Rot. Bonds1

About 4-ethylcyclohexen-1-olate

4-ethylcyclohexen-1-olate (PubChem CID 101379350) has the molecular formula C8H13O- and a molecular weight of 125.19 g/mol. Its IUPAC name is 4-ethylcyclohexen-1-olate.

Molecular Properties

Compound Name4-ethylcyclohexen-1-olate
PubChem CID101379350
Molecular FormulaC8H13O-
Molecular Weight125.19 g/mol
Exact Mass125.10
IUPAC Name4-ethylcyclohexen-1-olate
SMILESCCC1CC=C([O-])CC1
InChIInChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h5,7,9H,2-4,6H2,1H3/p-1
InChIKeyMFILZGBMIAZKIQ-UHFFFAOYSA-M
XLogP1.44
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-3-methylcyclohexene
CID 519381
Trimethyl-(5-methylcyclohexen-1-yl)oxysilane
CID 12608286
3-Methylcyclohexanolen
CID 14489841
4-Methyl-1-(trimethylsilyloxy)-1-cyclohexene
CID 15564294
Lithium 6-methylcyclohexen-1-olate
CID 23682383
1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
6-Fluoro-3,5-dimethylcyclohexen-1-ol
CID 68095038
3-Fluoro-1-methoxy-6-methylcyclohexene
CID 89143207
4-Methyl-1-(trifluoromethoxy)cyclohexene
CID 149544809
(4S)-4-methyl-1-(trifluoromethoxy)cyclohexene
CID 164163696
[(Z)-4-ethylhept-2-en-3-yl] hypofluorite
CID 168879608
1-tert-Butoxy-6-Methylcyclohexene
CID 574418

Frequently Asked Questions

What is the IUPAC name of 4-ethylcyclohexen-1-olate?
The IUPAC name of 4-ethylcyclohexen-1-olate (CID 101379350) is 4-ethylcyclohexen-1-olate.
What is the SMILES notation for 4-ethylcyclohexen-1-olate?
The canonical SMILES for 4-ethylcyclohexen-1-olate is CCC1CC=C([O-])CC1.
What is the InChIKey of 4-ethylcyclohexen-1-olate?
The InChIKey is MFILZGBMIAZKIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h5,7,9H,2-4,6H2,1H3/p-1.
What are the key properties of 4-ethylcyclohexen-1-olate?
4-ethylcyclohexen-1-olate has a molecular weight of 125.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclohexen-1-olate is sourced from PubChem (CID 101379350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).