1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one

C16H24O3 — CID 20668765

IUPAC1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one
SMILESCC1=C2CCC(=O)C(C)C2(C)C(C)CC12OCCO2
InChIInChI=1S/C16H24O3/c1-10-9-16(18-7-8-19-16)11(2)13-5-6-14(17)12(3)15(10,13)4/h10,12H,5-9H2,1-4H3
InChIKeySYASQPJEDHMQOL-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.09
Rot. Bonds

About 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one

1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one (PubChem CID 20668765) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one.

Molecular Properties

Compound Name1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one
PubChem CID20668765
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one
SMILESCC1=C2CCC(=O)C(C)C2(C)C(C)CC12OCCO2
InChIInChI=1S/C16H24O3/c1-10-9-16(18-7-8-19-16)11(2)13-5-6-14(17)12(3)15(10,13)4/h10,12H,5-9H2,1-4H3
InChIKeySYASQPJEDHMQOL-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one?
The IUPAC name of 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one (CID 20668765) is 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one.
What is the SMILES notation for 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one?
The canonical SMILES for 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one is CC1=C2CCC(=O)C(C)C2(C)C(C)CC12OCCO2.
What is the InChIKey of 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one?
The InChIKey is SYASQPJEDHMQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10-9-16(18-7-8-19-16)11(2)13-5-6-14(17)12(3)15(10,13)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one?
1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one has a molecular weight of 264.36 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-1H-naphthalene]-2'-one is sourced from PubChem (CID 20668765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).