(1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one

C19H30O2 — CID 10968253

IUPAC(1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one
SMILESC=C[C@@]1(C)CC[C@@]2(O1)C(=O)CC[C@@H]1C(C)(C)CCC[C@]12C
InChIInChI=1S/C19H30O2/c1-6-17(4)12-13-19(21-17)15(20)9-8-14-16(2,3)10-7-11-18(14,19)5/h6,14H,1,7-13H2,2-5H3/t14-,17+,18-,19-/m1/s1
InChIKeyOAZAVWMYVRHZFU-ZWQIFLOQSA-N
MW290.45 g/mol
LogP4.68
Rot. Bonds1

About (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one

(1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one (PubChem CID 10968253) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one.

Molecular Properties

Compound Name(1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one
PubChem CID10968253
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one
SMILESC=C[C@@]1(C)CC[C@@]2(O1)C(=O)CC[C@@H]1C(C)(C)CCC[C@]12C
InChIInChI=1S/C19H30O2/c1-6-17(4)12-13-19(21-17)15(20)9-8-14-16(2,3)10-7-11-18(14,19)5/h6,14H,1,7-13H2,2-5H3/t14-,17+,18-,19-/m1/s1
InChIKeyOAZAVWMYVRHZFU-ZWQIFLOQSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-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 (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one?
The IUPAC name of (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one (CID 10968253) is (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one.
What is the SMILES notation for (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one?
The canonical SMILES for (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one is C=C[C@@]1(C)CC[C@@]2(O1)C(=O)CC[C@@H]1C(C)(C)CCC[C@]12C.
What is the InChIKey of (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one?
The InChIKey is OAZAVWMYVRHZFU-ZWQIFLOQSA-N. The full InChI is InChI=1S/C19H30O2/c1-6-17(4)12-13-19(21-17)15(20)9-8-14-16(2,3)10-7-11-18(14,19)5/h6,14H,1,7-13H2,2-5H3/t14-,17+,18-,19-/m1/s1.
What are the key properties of (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one?
(1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one has a molecular weight of 290.45 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one is sourced from PubChem (CID 10968253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).