7-tert-butyl-3-methylidene-1,2-dihydroindene

C14H18 — CID 59813046

IUPAC7-tert-butyl-3-methylidene-1,2-dihydroindene
SMILESC=C1CCc2c1cccc2C(C)(C)C
InChIInChI=1S/C14H18/c1-10-8-9-12-11(10)6-5-7-13(12)14(2,3)4/h5-7H,1,8-9H2,2-4H3
InChIKeyXSWDPYOEPFDNBS-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.94
Rot. Bonds

About 7-tert-butyl-3-methylidene-1,2-dihydroindene

7-tert-butyl-3-methylidene-1,2-dihydroindene (PubChem CID 59813046) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 7-tert-butyl-3-methylidene-1,2-dihydroindene.

Molecular Properties

Compound Name7-tert-butyl-3-methylidene-1,2-dihydroindene
PubChem CID59813046
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name7-tert-butyl-3-methylidene-1,2-dihydroindene
SMILESC=C1CCc2c1cccc2C(C)(C)C
InChIInChI=1S/C14H18/c1-10-8-9-12-11(10)6-5-7-13(12)14(2,3)4/h5-7H,1,8-9H2,2-4H3
InChIKeyXSWDPYOEPFDNBS-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-methylidene-1,2-dihydroindene?
The IUPAC name of 7-tert-butyl-3-methylidene-1,2-dihydroindene (CID 59813046) is 7-tert-butyl-3-methylidene-1,2-dihydroindene.
What is the SMILES notation for 7-tert-butyl-3-methylidene-1,2-dihydroindene?
The canonical SMILES for 7-tert-butyl-3-methylidene-1,2-dihydroindene is C=C1CCc2c1cccc2C(C)(C)C.
What is the InChIKey of 7-tert-butyl-3-methylidene-1,2-dihydroindene?
The InChIKey is XSWDPYOEPFDNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-8-9-12-11(10)6-5-7-13(12)14(2,3)4/h5-7H,1,8-9H2,2-4H3.
What are the key properties of 7-tert-butyl-3-methylidene-1,2-dihydroindene?
7-tert-butyl-3-methylidene-1,2-dihydroindene has a molecular weight of 186.30 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-methylidene-1,2-dihydroindene is sourced from PubChem (CID 59813046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).