(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol

C13H18O — CID 79838530

IUPAC(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol
SMILESCc1cc(C)c2c(c1)[C@H](O)CC2(C)C
InChIInChI=1S/C13H18O/c1-8-5-9(2)12-10(6-8)11(14)7-13(12,3)4/h5-6,11,14H,7H2,1-4H3/t11-/m1/s1
InChIKeyNHWKJIUIIMIBJL-LLVKDONJSA-N
MW190.29 g/mol
LogP3.02
Rot. Bonds

About (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol

(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol (PubChem CID 79838530) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol
PubChem CID79838530
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol
SMILESCc1cc(C)c2c(c1)[C@H](O)CC2(C)C
InChIInChI=1S/C13H18O/c1-8-5-9(2)12-10(6-8)11(14)7-13(12,3)4/h5-6,11,14H,7H2,1-4H3/t11-/m1/s1
InChIKeyNHWKJIUIIMIBJL-LLVKDONJSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol (CID 79838530) is (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol is Cc1cc(C)c2c(c1)[C@H](O)CC2(C)C.
What is the InChIKey of (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol?
The InChIKey is NHWKJIUIIMIBJL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18O/c1-8-5-9(2)12-10(6-8)11(14)7-13(12,3)4/h5-6,11,14H,7H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol?
(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79838530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).