3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene

C19H26 — CID 91599532

IUPAC3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene
SMILESCC(C)=CCC1(CC=C(C)C)CCc2ccccc21
InChIInChI=1S/C19H26/c1-15(2)9-12-19(13-10-16(3)4)14-11-17-7-5-6-8-18(17)19/h5-10H,11-14H2,1-4H3
InChIKeyPQKHFSFDWDSOTQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.58
Rot. Bonds4

About 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene

3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene (PubChem CID 91599532) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene.

Molecular Properties

Compound Name3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene
PubChem CID91599532
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene
SMILESCC(C)=CCC1(CC=C(C)C)CCc2ccccc21
InChIInChI=1S/C19H26/c1-15(2)9-12-19(13-10-16(3)4)14-11-17-7-5-6-8-18(17)19/h5-10H,11-14H2,1-4H3
InChIKeyPQKHFSFDWDSOTQ-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.58
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 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene?
The IUPAC name of 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene (CID 91599532) is 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene.
What is the SMILES notation for 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene?
The canonical SMILES for 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene is CC(C)=CCC1(CC=C(C)C)CCc2ccccc21.
What is the InChIKey of 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene?
The InChIKey is PQKHFSFDWDSOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-15(2)9-12-19(13-10-16(3)4)14-11-17-7-5-6-8-18(17)19/h5-10H,11-14H2,1-4H3.
What are the key properties of 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene?
3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene has a molecular weight of 254.42 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene is sourced from PubChem (CID 91599532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).