6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one

C12H18O2 — CID 162724285

IUPAC6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one
SMILESCC(C)COC1=CC(=O)C2(CC1)CC2
InChIInChI=1S/C12H18O2/c1-9(2)8-14-10-3-4-12(5-6-12)11(13)7-10/h7,9H,3-6,8H2,1-2H3
InChIKeyNKJBSSCDPIOEDX-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds3

About 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one

6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one (PubChem CID 162724285) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one.

Molecular Properties

Compound Name6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one
PubChem CID162724285
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one
SMILESCC(C)COC1=CC(=O)C2(CC1)CC2
InChIInChI=1S/C12H18O2/c1-9(2)8-14-10-3-4-12(5-6-12)11(13)7-10/h7,9H,3-6,8H2,1-2H3
InChIKeyNKJBSSCDPIOEDX-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one
CID 10244259
6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
CID 12917225
3-(2-methylpropoxy)cyclohepta-2,6-dien-1-imine
CID 123216771
(2R)-4-(2-methylpropoxy)-2-[(E)-4-[(1R)-3-(2-methylpropoxy)-6-oxocyclohex-2-en-1-yl]but-2-enyl]cyclohex-3-en-1-one
CID 7103267
3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one
CID 44725204
(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine
CID 123382483
5,5-dimethyl-6-(3-methylbut-3-enyl)-3-(2-methylpropoxy)cyclohex-2-en-1-one
CID 24776848
10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione
CID 71393323
(6S)-6-(2-bromoprop-2-enyl)-6-[(3S)-3-hydroxy-4-methylpentyl]-3-methoxycyclohex-2-en-1-one
CID 57333611
3-(2-methylpropoxy)-6-[(3E)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-one
CID 10737002
4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
CID 67979380
9-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126063052

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one?
The IUPAC name of 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one (CID 162724285) is 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one.
What is the SMILES notation for 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one?
The canonical SMILES for 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one is CC(C)COC1=CC(=O)C2(CC1)CC2.
What is the InChIKey of 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one?
The InChIKey is NKJBSSCDPIOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)8-14-10-3-4-12(5-6-12)11(13)7-10/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one?
6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one has a molecular weight of 194.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one is sourced from PubChem (CID 162724285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).