1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol

C13H20O — CID 66963592

IUPAC1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
SMILESCC1C(O)C=C2C(C)(C)CC=CC21C
InChIInChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3
InChIKeyMHUYBIUXLMLCJM-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.92
Rot. Bonds

About 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol

1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol (PubChem CID 66963592) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
PubChem CID66963592
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
SMILESCC1C(O)C=C2C(C)(C)CC=CC21C
InChIInChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3
InChIKeyMHUYBIUXLMLCJM-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol?
The IUPAC name of 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol (CID 66963592) is 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol?
The canonical SMILES for 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol is CC1C(O)C=C2C(C)(C)CC=CC21C.
What is the InChIKey of 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol?
The InChIKey is MHUYBIUXLMLCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3.
What are the key properties of 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol?
1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol is sourced from PubChem (CID 66963592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).