(1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate

C17H26O3 — CID 85288994

IUPAC(1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate
SMILESCC(=O)OC1CC(C)C2(CC=C(C)C(=O)C2)C1C(C)C
InChIInChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3
InChIKeyLDEHIZSFHFOEKN-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.53
Rot. Bonds2

About (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate

(1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate (PubChem CID 85288994) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate.

Molecular Properties

Compound Name(1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate
PubChem CID85288994
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate
SMILESCC(=O)OC1CC(C)C2(CC=C(C)C(=O)C2)C1C(C)C
InChIInChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3
InChIKeyLDEHIZSFHFOEKN-UHFFFAOYSA-N
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate 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 (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate?
The IUPAC name of (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate (CID 85288994) is (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate.
What is the SMILES notation for (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate?
The canonical SMILES for (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate is CC(=O)OC1CC(C)C2(CC=C(C)C(=O)C2)C1C(C)C.
What is the InChIKey of (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate?
The InChIKey is LDEHIZSFHFOEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3.
What are the key properties of (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate?
(1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate has a molecular weight of 278.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl) acetate is sourced from PubChem (CID 85288994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).