7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one

C15H22O — CID 23451690

IUPAC7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
SMILESCC1=CC2(CCC(=C(C)C)C2)CC(C)C1=O
InChIInChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)7-11(3)14(16)12(4)8-15/h7,12H,5-6,8-9H2,1-4H3
InChIKeyYDSIDXHDFCGEHM-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds

About 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one

7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one (PubChem CID 23451690) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
PubChem CID23451690
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
SMILESCC1=CC2(CCC(=C(C)C)C2)CC(C)C1=O
InChIInChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)7-11(3)14(16)12(4)8-15/h7,12H,5-6,8-9H2,1-4H3
InChIKeyYDSIDXHDFCGEHM-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The IUPAC name of 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one (CID 23451690) is 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The canonical SMILES for 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one is CC1=CC2(CCC(=C(C)C)C2)CC(C)C1=O.
What is the InChIKey of 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The InChIKey is YDSIDXHDFCGEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)7-11(3)14(16)12(4)8-15/h7,12H,5-6,8-9H2,1-4H3.
What are the key properties of 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one has a molecular weight of 218.34 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 23451690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).