tert-butyl 3-formyl-1H-indene-1-carboxylate

C15H16O3 — CID 82254397

IUPACtert-butyl 3-formyl-1H-indene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C=C(C=O)c2ccccc21
InChIInChI=1S/C15H16O3/c1-15(2,3)18-14(17)13-8-10(9-16)11-6-4-5-7-12(11)13/h4-9,13H,1-3H3
InChIKeyFBBDWWHLDYMOKM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl 3-formyl-1H-indene-1-carboxylate

tert-butyl 3-formyl-1H-indene-1-carboxylate (PubChem CID 82254397) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 3-formyl-1H-indene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-formyl-1H-indene-1-carboxylate
PubChem CID82254397
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nametert-butyl 3-formyl-1H-indene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C=C(C=O)c2ccccc21
InChIInChI=1S/C15H16O3/c1-15(2,3)18-14(17)13-8-10(9-16)11-6-4-5-7-12(11)13/h4-9,13H,1-3H3
InChIKeyFBBDWWHLDYMOKM-UHFFFAOYSA-N
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004961
tert-butyl (1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004965
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CID 135036034
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CID 124603961
tert-butyl 3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carboxylate
CID 71304764
tert-butyl (1R,9S,11R,13R)-2-oxo-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-3,5,7-triene-13-carboxylate
CID 177392528
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CID 135374954
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
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CID 153372613

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formyl-1H-indene-1-carboxylate?
The IUPAC name of tert-butyl 3-formyl-1H-indene-1-carboxylate (CID 82254397) is tert-butyl 3-formyl-1H-indene-1-carboxylate.
What is the SMILES notation for tert-butyl 3-formyl-1H-indene-1-carboxylate?
The canonical SMILES for tert-butyl 3-formyl-1H-indene-1-carboxylate is CC(C)(C)OC(=O)C1C=C(C=O)c2ccccc21.
What is the InChIKey of tert-butyl 3-formyl-1H-indene-1-carboxylate?
The InChIKey is FBBDWWHLDYMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-15(2,3)18-14(17)13-8-10(9-16)11-6-4-5-7-12(11)13/h4-9,13H,1-3H3.
What are the key properties of tert-butyl 3-formyl-1H-indene-1-carboxylate?
tert-butyl 3-formyl-1H-indene-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formyl-1H-indene-1-carboxylate is sourced from PubChem (CID 82254397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).