3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene

C17H26O — CID 129105711

IUPAC3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene
SMILESCC(C)(C)COC1(C)c2ccccc2CC1(C)C
InChIInChI=1S/C17H26O/c1-15(2,3)12-18-17(6)14-10-8-7-9-13(14)11-16(17,4)5/h7-10H,11-12H2,1-6H3
InChIKeyRFZKMEQRTRKLGO-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.55
Rot. Bonds2

About 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene

3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene (PubChem CID 129105711) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene
PubChem CID129105711
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene
SMILESCC(C)(C)COC1(C)c2ccccc2CC1(C)C
InChIInChI=1S/C17H26O/c1-15(2,3)12-18-17(6)14-10-8-7-9-13(14)11-16(17,4)5/h7-10H,11-12H2,1-6H3
InChIKeyRFZKMEQRTRKLGO-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene?
The IUPAC name of 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene (CID 129105711) is 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene is CC(C)(C)COC1(C)c2ccccc2CC1(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene?
The InChIKey is RFZKMEQRTRKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-15(2,3)12-18-17(6)14-10-8-7-9-13(14)11-16(17,4)5/h7-10H,11-12H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene?
3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene has a molecular weight of 246.39 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-2,2,3-trimethyl-1H-indene is sourced from PubChem (CID 129105711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).