CID 12847286

C8H11O2 — CID 12847286

IUPAC—
SMILESCC1(C)CC(=O)C=C([O])C1
InChIInChI=1S/C8H11O2/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChIKeyRBRJCOFFGAUOKK-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.69
Rot. Bonds

About CID 12847286

CID 12847286 (PubChem CID 12847286) has the molecular formula C8H11O2 and a molecular weight of 139.17 g/mol.

Molecular Properties

Compound NameCID 12847286
PubChem CID12847286
Molecular FormulaC8H11O2
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name—
SMILESCC1(C)CC(=O)C=C([O])C1
InChIInChI=1S/C8H11O2/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChIKeyRBRJCOFFGAUOKK-UHFFFAOYSA-N
XLogP1.69
TPSA36.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-
CID 138710
5-Hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
CID 13964534
5,5-Dimethyl-cyclohex-2-enone-3-ol
CID 137957
2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
CID 138318
2-Cyclohexen-1-one, 3-hydroxy-5-methyl-
CID 429063
2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-methylpropoxy)-
CID 558764
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
5,5-Dimethyl-3-oxocyclohex-1-en-1-yl acetate
CID 10899288
6,6-Dimethylcyclohex-3-ene-1,2-dione
CID 642509
Sodium 5,5-dimethyl-3-oxocyclohexen-1-olate
CID 23668389
(5,5-Dimethyl-3-oxocyclohexen-1-yl)oxidanium
CID 134864552
Hydroxy-5,5-dimethylcyclohex-2-enone
CID 11029922

Frequently Asked Questions

What is the IUPAC name of CID 12847286?
The IUPAC name of CID 12847286 (CID 12847286) is not available.
What is the SMILES notation for CID 12847286?
The canonical SMILES for CID 12847286 is CC1(C)CC(=O)C=C([O])C1.
What is the InChIKey of CID 12847286?
The InChIKey is RBRJCOFFGAUOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3.
What are the key properties of CID 12847286?
CID 12847286 has a molecular weight of 139.17 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12847286 is sourced from PubChem (CID 12847286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).