(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol

C13H20O2 — CID 131752035

IUPAC(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol
SMILESCC1(C)CC=C[C@]2(C)C1=C[C@@H](O)[C@]2(C)O
InChIInChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1
InChIKeySKBCVUCDJRKPAH-RTXFEEFZSA-N
MW208.30 g/mol
LogP2.03
Rot. Bonds

About (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol

(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol (PubChem CID 131752035) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol
PubChem CID131752035
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol
SMILESCC1(C)CC=C[C@]2(C)C1=C[C@@H](O)[C@]2(C)O
InChIInChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1
InChIKeySKBCVUCDJRKPAH-RTXFEEFZSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
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 (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol?
The IUPAC name of (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol (CID 131752035) is (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol.
What is the SMILES notation for (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol?
The canonical SMILES for (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol is CC1(C)CC=C[C@]2(C)C1=C[C@@H](O)[C@]2(C)O.
What is the InChIKey of (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol?
The InChIKey is SKBCVUCDJRKPAH-RTXFEEFZSA-N. The full InChI is InChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1.
What are the key properties of (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol?
(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol has a molecular weight of 208.30 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol is sourced from PubChem (CID 131752035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).