1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione

C15H22O2 — CID 15558293

IUPAC1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
SMILESCC1=CCC2(CC1=O)C(C)CC(=O)C2C(C)C
InChIInChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3
InChIKeySXHQJMKFQDMBIW-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.16
Rot. Bonds1

About 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione

1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione (PubChem CID 15558293) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione.

Molecular Properties

Compound Name1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
PubChem CID15558293
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
SMILESCC1=CCC2(CC1=O)C(C)CC(=O)C2C(C)C
InChIInChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3
InChIKeySXHQJMKFQDMBIW-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione?
The IUPAC name of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione (CID 15558293) is 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione.
What is the SMILES notation for 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione?
The canonical SMILES for 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione is CC1=CCC2(CC1=O)C(C)CC(=O)C2C(C)C.
What is the InChIKey of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione?
The InChIKey is SXHQJMKFQDMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3.
What are the key properties of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione?
1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione has a molecular weight of 234.34 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione is sourced from PubChem (CID 15558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).