2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol

C13H22O3 — CID 18723432

IUPAC2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol
SMILESCC1(O)CC2(C)CC3(CC2(C)C1)OCCO3
InChIInChI=1S/C13H22O3/c1-10-6-12(3,14)7-11(10,2)9-13(8-10)15-4-5-16-13/h14H,4-9H2,1-3H3
InChIKeyIQHBNZTXUCMSTN-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.08
Rot. Bonds

About 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol

2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol (PubChem CID 18723432) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol.

Molecular Properties

Compound Name2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol
PubChem CID18723432
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol
SMILESCC1(O)CC2(C)CC3(CC2(C)C1)OCCO3
InChIInChI=1S/C13H22O3/c1-10-6-12(3,14)7-11(10,2)9-13(8-10)15-4-5-16-13/h14H,4-9H2,1-3H3
InChIKeyIQHBNZTXUCMSTN-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol 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 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol?
The IUPAC name of 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol (CID 18723432) is 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol.
What is the SMILES notation for 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol?
The canonical SMILES for 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol is CC1(O)CC2(C)CC3(CC2(C)C1)OCCO3.
What is the InChIKey of 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol?
The InChIKey is IQHBNZTXUCMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10-6-12(3,14)7-11(10,2)9-13(8-10)15-4-5-16-13/h14H,4-9H2,1-3H3.
What are the key properties of 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol?
2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol has a molecular weight of 226.32 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,6a-trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol is sourced from PubChem (CID 18723432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).