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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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).