tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate

C15H20O3 — CID 147806916

IUPACtert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate
SMILESCC1Cc2ccc(OC(=O)OC(C)(C)C)cc2C1
InChIInChI=1S/C15H20O3/c1-10-7-11-5-6-13(9-12(11)8-10)17-14(16)18-15(2,3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyHMPOLMAVDXEZQW-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.74
Rot. Bonds1

About tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate

tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate (PubChem CID 147806916) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate
PubChem CID147806916
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate
SMILESCC1Cc2ccc(OC(=O)OC(C)(C)C)cc2C1
InChIInChI=1S/C15H20O3/c1-10-7-11-5-6-13(9-12(11)8-10)17-14(16)18-15(2,3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyHMPOLMAVDXEZQW-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate?
The IUPAC name of tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate (CID 147806916) is tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate.
What is the SMILES notation for tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate?
The canonical SMILES for tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate is CC1Cc2ccc(OC(=O)OC(C)(C)C)cc2C1.
What is the InChIKey of tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate?
The InChIKey is HMPOLMAVDXEZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-7-11-5-6-13(9-12(11)8-10)17-14(16)18-15(2,3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate?
tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate has a molecular weight of 248.32 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2-methyl-2,3-dihydro-1H-inden-5-yl) carbonate is sourced from PubChem (CID 147806916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).