1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol

C14H24O2 — CID 91591502

IUPAC1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol
SMILESCC1C(C)(C)C2=C(C(O)(O)CCC2)C1(C)C
InChIInChI=1S/C14H24O2/c1-9-12(2,3)10-7-6-8-14(15,16)11(10)13(9,4)5/h9,15-16H,6-8H2,1-5H3
InChIKeyGNAGUGHQWNCQML-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.85
Rot. Bonds

About 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol

1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol (PubChem CID 91591502) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol
PubChem CID91591502
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol
SMILESCC1C(C)(C)C2=C(C(O)(O)CCC2)C1(C)C
InChIInChI=1S/C14H24O2/c1-9-12(2,3)10-7-6-8-14(15,16)11(10)13(9,4)5/h9,15-16H,6-8H2,1-5H3
InChIKeyGNAGUGHQWNCQML-UHFFFAOYSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol?
The IUPAC name of 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol (CID 91591502) is 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol?
The canonical SMILES for 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol is CC1C(C)(C)C2=C(C(O)(O)CCC2)C1(C)C.
What is the InChIKey of 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol?
The InChIKey is GNAGUGHQWNCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-12(2,3)10-7-6-8-14(15,16)11(10)13(9,4)5/h9,15-16H,6-8H2,1-5H3.
What are the key properties of 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol?
1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol has a molecular weight of 224.34 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroindene-4,4-diol is sourced from PubChem (CID 91591502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).