(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one

C15H22O — CID 15894374

IUPAC(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one
SMILESCC1=CC[C@]2(CC1)C(=C(C)C)C(=O)C[C@H]2C
InChIInChI=1S/C15H22O/c1-10(2)14-13(16)9-12(4)15(14)7-5-11(3)6-8-15/h5,12H,6-9H2,1-4H3/t12-,15-/m1/s1
InChIKeyZZDZYXINURVBJN-IUODEOHRSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds

About (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one

(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one (PubChem CID 15894374) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one
PubChem CID15894374
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one
SMILESCC1=CC[C@]2(CC1)C(=C(C)C)C(=O)C[C@H]2C
InChIInChI=1S/C15H22O/c1-10(2)14-13(16)9-12(4)15(14)7-5-11(3)6-8-15/h5,12H,6-9H2,1-4H3/t12-,15-/m1/s1
InChIKeyZZDZYXINURVBJN-IUODEOHRSA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one?
The IUPAC name of (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one (CID 15894374) is (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one.
What is the SMILES notation for (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one?
The canonical SMILES for (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one is CC1=CC[C@]2(CC1)C(=C(C)C)C(=O)C[C@H]2C.
What is the InChIKey of (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one?
The InChIKey is ZZDZYXINURVBJN-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)14-13(16)9-12(4)15(14)7-5-11(3)6-8-15/h5,12H,6-9H2,1-4H3/t12-,15-/m1/s1.
What are the key properties of (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one?
(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-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 (1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-en-3-one is sourced from PubChem (CID 15894374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).