1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol

C17H24O2 — CID 142994977

IUPAC1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol
SMILESCC1(C)CCC2(C1)CC(C)(C)c1cc(O)c(O)cc12
InChIInChI=1S/C17H24O2/c1-15(2)5-6-17(9-15)10-16(3,4)11-7-13(18)14(19)8-12(11)17/h7-8,18-19H,5-6,9-10H2,1-4H3
InChIKeyAAIJKDDBHONOJX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.23
Rot. Bonds

About 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol

1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol (PubChem CID 142994977) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol.

Molecular Properties

Compound Name1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol
PubChem CID142994977
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol
SMILESCC1(C)CCC2(C1)CC(C)(C)c1cc(O)c(O)cc12
InChIInChI=1S/C17H24O2/c1-15(2)5-6-17(9-15)10-16(3,4)11-7-13(18)14(19)8-12(11)17/h7-8,18-19H,5-6,9-10H2,1-4H3
InChIKeyAAIJKDDBHONOJX-UHFFFAOYSA-N
XLogP4.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol?
The IUPAC name of 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol (CID 142994977) is 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol.
What is the SMILES notation for 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol?
The canonical SMILES for 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol is CC1(C)CCC2(C1)CC(C)(C)c1cc(O)c(O)cc12.
What is the InChIKey of 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol?
The InChIKey is AAIJKDDBHONOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-15(2)5-6-17(9-15)10-16(3,4)11-7-13(18)14(19)8-12(11)17/h7-8,18-19H,5-6,9-10H2,1-4H3.
What are the key properties of 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol?
1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol has a molecular weight of 260.38 g/mol, XLogP of 4.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1',1'-tetramethylspiro[2H-indene-3,3'-cyclopentane]-5,6-diol is sourced from PubChem (CID 142994977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).