2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene

C16H22O — CID 129105719

IUPAC2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene
SMILESC=C(C)COC1(C)c2ccccc2CC1(C)C
InChIInChI=1S/C16H22O/c1-12(2)11-17-16(5)14-9-7-6-8-13(14)10-15(16,3)4/h6-9H,1,10-11H2,2-5H3
InChIKeyOQOXCOPKOUUYME-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.08
Rot. Bonds3

About 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene

2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene (PubChem CID 129105719) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene
PubChem CID129105719
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene
SMILESC=C(C)COC1(C)c2ccccc2CC1(C)C
InChIInChI=1S/C16H22O/c1-12(2)11-17-16(5)14-9-7-6-8-13(14)10-15(16,3)4/h6-9H,1,10-11H2,2-5H3
InChIKeyOQOXCOPKOUUYME-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
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 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene?
The IUPAC name of 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene (CID 129105719) is 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene.
What is the SMILES notation for 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene?
The canonical SMILES for 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene is C=C(C)COC1(C)c2ccccc2CC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene?
The InChIKey is OQOXCOPKOUUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12(2)11-17-16(5)14-9-7-6-8-13(14)10-15(16,3)4/h6-9H,1,10-11H2,2-5H3.
What are the key properties of 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene?
2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene has a molecular weight of 230.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2-methylprop-2-enoxy)-1H-indene is sourced from PubChem (CID 129105719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).