4,5,7-trimethyl-2-methylidene-1,3-dihydroindene

C13H16 — CID 140827345

IUPAC4,5,7-trimethyl-2-methylidene-1,3-dihydroindene
SMILESC=C1Cc2c(C)cc(C)c(C)c2C1
InChIInChI=1S/C13H16/c1-8-5-12-10(3)7-9(2)11(4)13(12)6-8/h7H,1,5-6H2,2-4H3
InChIKeyWXNSOIXOUDSVPP-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.27
Rot. Bonds

About 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene

4,5,7-trimethyl-2-methylidene-1,3-dihydroindene (PubChem CID 140827345) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene.

Molecular Properties

Compound Name4,5,7-trimethyl-2-methylidene-1,3-dihydroindene
PubChem CID140827345
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name4,5,7-trimethyl-2-methylidene-1,3-dihydroindene
SMILESC=C1Cc2c(C)cc(C)c(C)c2C1
InChIInChI=1S/C13H16/c1-8-5-12-10(3)7-9(2)11(4)13(12)6-8/h7H,1,5-6H2,2-4H3
InChIKeyWXNSOIXOUDSVPP-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.27
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 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene?
The IUPAC name of 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene (CID 140827345) is 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene.
What is the SMILES notation for 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene?
The canonical SMILES for 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene is C=C1Cc2c(C)cc(C)c(C)c2C1.
What is the InChIKey of 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene?
The InChIKey is WXNSOIXOUDSVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-8-5-12-10(3)7-9(2)11(4)13(12)6-8/h7H,1,5-6H2,2-4H3.
What are the key properties of 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene?
4,5,7-trimethyl-2-methylidene-1,3-dihydroindene has a molecular weight of 172.27 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-2-methylidene-1,3-dihydroindene is sourced from PubChem (CID 140827345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).