2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

C15H26O3 — CID 123325095

IUPAC2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESCCOC1CC2CC3(CC2C1)OCC(C)(C)CO3
InChIInChI=1S/C15H26O3/c1-4-16-13-5-11-7-15(8-12(11)6-13)17-9-14(2,3)10-18-15/h11-13H,4-10H2,1-3H3
InChIKeyIXRSBPQUWZQUMB-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.98
Rot. Bonds2

About 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (PubChem CID 123325095) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].

Molecular Properties

Compound Name2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
PubChem CID123325095
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESCCOC1CC2CC3(CC2C1)OCC(C)(C)CO3
InChIInChI=1S/C15H26O3/c1-4-16-13-5-11-7-15(8-12(11)6-13)17-9-14(2,3)10-18-15/h11-13H,4-10H2,1-3H3
InChIKeyIXRSBPQUWZQUMB-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] 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 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The IUPAC name of 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (CID 123325095) is 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].
What is the SMILES notation for 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The canonical SMILES for 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is CCOC1CC2CC3(CC2C1)OCC(C)(C)CO3.
What is the InChIKey of 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The InChIKey is IXRSBPQUWZQUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-16-13-5-11-7-15(8-12(11)6-13)17-9-14(2,3)10-18-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] has a molecular weight of 254.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is sourced from PubChem (CID 123325095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).