7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one

C14H22O2 — CID 59602218

IUPAC7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one
SMILESCC(C)COC1=CC(=O)CC2(CCCC2)C1
InChIInChI=1S/C14H22O2/c1-11(2)10-16-13-7-12(15)8-14(9-13)5-3-4-6-14/h7,11H,3-6,8-10H2,1-2H3
InChIKeyWTLNCZUSIQEJEX-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds3

About 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one

7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one (PubChem CID 59602218) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one
PubChem CID59602218
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one
SMILESCC(C)COC1=CC(=O)CC2(CCCC2)C1
InChIInChI=1S/C14H22O2/c1-11(2)10-16-13-7-12(15)8-14(9-13)5-3-4-6-14/h7,11H,3-6,8-10H2,1-2H3
InChIKeyWTLNCZUSIQEJEX-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one?
The IUPAC name of 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one (CID 59602218) is 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one.
What is the SMILES notation for 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one?
The canonical SMILES for 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one is CC(C)COC1=CC(=O)CC2(CCCC2)C1.
What is the InChIKey of 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one?
The InChIKey is WTLNCZUSIQEJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)10-16-13-7-12(15)8-14(9-13)5-3-4-6-14/h7,11H,3-6,8-10H2,1-2H3.
What are the key properties of 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one?
7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one has a molecular weight of 222.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropoxy)spiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 59602218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).