5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]

C13H20O2 — CID 135007953

IUPAC5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]
SMILESCC1(C)CC2=C(CCC2)C2(C1)OCCO2
InChIInChI=1S/C13H20O2/c1-12(2)8-10-4-3-5-11(10)13(9-12)14-6-7-15-13/h3-9H2,1-2H3
InChIKeyYVHFJPUGPVGRAX-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.03
Rot. Bonds

About 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]

5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene] (PubChem CID 135007953) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene].

Molecular Properties

Compound Name5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]
PubChem CID135007953
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]
SMILESCC1(C)CC2=C(CCC2)C2(C1)OCCO2
InChIInChI=1S/C13H20O2/c1-12(2)8-10-4-3-5-11(10)13(9-12)14-6-7-15-13/h3-9H2,1-2H3
InChIKeyYVHFJPUGPVGRAX-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]?
The IUPAC name of 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene] (CID 135007953) is 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene].
What is the SMILES notation for 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]?
The canonical SMILES for 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene] is CC1(C)CC2=C(CCC2)C2(C1)OCCO2.
What is the InChIKey of 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]?
The InChIKey is YVHFJPUGPVGRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2)8-10-4-3-5-11(10)13(9-12)14-6-7-15-13/h3-9H2,1-2H3.
What are the key properties of 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene]?
5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene] has a molecular weight of 208.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4,6-tetrahydro-1H-indene] is sourced from PubChem (CID 135007953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).