(8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one

C17H26O4 — CID 134865675

IUPAC(8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one
SMILESCO[C@H]1CCCC2[C@H]1C(=O)C(C)=CC21OCC(C)(C)CO1
InChIInChI=1S/C17H26O4/c1-11-8-17(20-9-16(2,3)10-21-17)12-6-5-7-13(19-4)14(12)15(11)18/h8,12-14H,5-7,9-10H2,1-4H3/t12?,13-,14+/m0/s1
InChIKeyKLEVGUJAYMJHOE-KFTPUPIBSA-N
MW294.39 g/mol
LogP2.72
Rot. Bonds1

About (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one

(8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one (PubChem CID 134865675) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one.

Molecular Properties

Compound Name(8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one
PubChem CID134865675
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one
SMILESCO[C@H]1CCCC2[C@H]1C(=O)C(C)=CC21OCC(C)(C)CO1
InChIInChI=1S/C17H26O4/c1-11-8-17(20-9-16(2,3)10-21-17)12-6-5-7-13(19-4)14(12)15(11)18/h8,12-14H,5-7,9-10H2,1-4H3/t12?,13-,14+/m0/s1
InChIKeyKLEVGUJAYMJHOE-KFTPUPIBSA-N
XLogP2.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-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 (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one?
The IUPAC name of (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one (CID 134865675) is (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one.
What is the SMILES notation for (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one?
The canonical SMILES for (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one is CO[C@H]1CCCC2[C@H]1C(=O)C(C)=CC21OCC(C)(C)CO1.
What is the InChIKey of (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one?
The InChIKey is KLEVGUJAYMJHOE-KFTPUPIBSA-N. The full InChI is InChI=1S/C17H26O4/c1-11-8-17(20-9-16(2,3)10-21-17)12-6-5-7-13(19-4)14(12)15(11)18/h8,12-14H,5-7,9-10H2,1-4H3/t12?,13-,14+/m0/s1.
What are the key properties of (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one?
(8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one has a molecular weight of 294.39 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8'S,8'aR)-8'-methoxy-2',5,5-trimethylspiro[1,3-dioxane-2,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one is sourced from PubChem (CID 134865675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).