3-methyl-3-prop-2-enyl-1,2-dihydroindene

C13H16 — CID 85427456

IUPAC3-methyl-3-prop-2-enyl-1,2-dihydroindene
SMILESC=CCC1(C)CCc2ccccc21
InChIInChI=1S/C13H16/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h3-7H,1,8-10H2,2H3
InChIKeyOLUNCTBFBUTRGR-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.47
Rot. Bonds2

About 3-methyl-3-prop-2-enyl-1,2-dihydroindene

3-methyl-3-prop-2-enyl-1,2-dihydroindene (PubChem CID 85427456) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methyl-3-prop-2-enyl-1,2-dihydroindene.

Molecular Properties

Compound Name3-methyl-3-prop-2-enyl-1,2-dihydroindene
PubChem CID85427456
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name3-methyl-3-prop-2-enyl-1,2-dihydroindene
SMILESC=CCC1(C)CCc2ccccc21
InChIInChI=1S/C13H16/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h3-7H,1,8-10H2,2H3
InChIKeyOLUNCTBFBUTRGR-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-methyl-3-prop-2-enyl-1,2-dihydroindene?
The IUPAC name of 3-methyl-3-prop-2-enyl-1,2-dihydroindene (CID 85427456) is 3-methyl-3-prop-2-enyl-1,2-dihydroindene.
What is the SMILES notation for 3-methyl-3-prop-2-enyl-1,2-dihydroindene?
The canonical SMILES for 3-methyl-3-prop-2-enyl-1,2-dihydroindene is C=CCC1(C)CCc2ccccc21.
What is the InChIKey of 3-methyl-3-prop-2-enyl-1,2-dihydroindene?
The InChIKey is OLUNCTBFBUTRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h3-7H,1,8-10H2,2H3.
What are the key properties of 3-methyl-3-prop-2-enyl-1,2-dihydroindene?
3-methyl-3-prop-2-enyl-1,2-dihydroindene has a molecular weight of 172.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-prop-2-enyl-1,2-dihydroindene is sourced from PubChem (CID 85427456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).