ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene

C19H28 — CID 169145814

IUPACethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene
SMILESC#Cc1cccc2c1CCC2(C(C)C)C(C)C.CC
InChIInChI=1S/C17H22.C2H6/c1-6-14-8-7-9-16-15(14)10-11-17(16,12(2)3)13(4)5;1-2/h1,7-9,12-13H,10-11H2,2-5H3;1-2H3
InChIKeyUFCSZNCZFIZORG-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.19
Rot. Bonds2

About ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene

ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene (PubChem CID 169145814) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene.

Molecular Properties

Compound Nameethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene
PubChem CID169145814
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Nameethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene
SMILESC#Cc1cccc2c1CCC2(C(C)C)C(C)C.CC
InChIInChI=1S/C17H22.C2H6/c1-6-14-8-7-9-16-15(14)10-11-17(16,12(2)3)13(4)5;1-2/h1,7-9,12-13H,10-11H2,2-5H3;1-2H3
InChIKeyUFCSZNCZFIZORG-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
2-ethynylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 23374754
1-(1-ethylcyclopropyl)-2-ethynylbenzene
CID 176962922
3-butan-2-yl-7-(difluoromethoxy)-3-propan-2-yl-1,2-dihydroindene;4-(difluoromethoxy)-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 176703833
7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 170422680
1,3,5,7-tetrakis(2-ethynylphenyl)adamantane
CID 22256999
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
1-fluoro-1-methyl-2,3-dihydroinden-4-ol
CID 84652361
5-ethynyl-3,4-dihydro-2H-naphthalen-1-one
CID 21414823
ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 176568525
bicyclo[2.2.0]hexa-1,3,5-triene;1,3,5,7-tetrakis(2-ethynylphenyl)adamantane
CID 22256998
ethane;1-ethynyl-2-methylbenzene
CID 142087520

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
The IUPAC name of ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene (CID 169145814) is ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene.
What is the SMILES notation for ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
The canonical SMILES for ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene is C#Cc1cccc2c1CCC2(C(C)C)C(C)C.CC.
What is the InChIKey of ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
The InChIKey is UFCSZNCZFIZORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.C2H6/c1-6-14-8-7-9-16-15(14)10-11-17(16,12(2)3)13(4)5;1-2/h1,7-9,12-13H,10-11H2,2-5H3;1-2H3.
What are the key properties of ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene has a molecular weight of 256.43 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethynyl-3,3-di(propan-2-yl)-1,2-dihydroindene is sourced from PubChem (CID 169145814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).