5-ethyl-1,2,3,4-tetrahydro-s-indacene

C14H16 — CID 142424223

IUPAC5-ethyl-1,2,3,4-tetrahydro-s-indacene
SMILESCCC1=C2CC3=C(C=C2C=C1)CCC3
InChIInChI=1S/C14H16/c1-2-10-6-7-13-8-11-4-3-5-12(11)9-14(10)13/h6-8H,2-5,9H2,1H3
InChIKeyDZOBSCWTFIXJBT-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.07
Rot. Bonds1

About 5-ethyl-1,2,3,4-tetrahydro-s-indacene

5-ethyl-1,2,3,4-tetrahydro-s-indacene (PubChem CID 142424223) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-ethyl-1,2,3,4-tetrahydro-s-indacene.

Molecular Properties

Compound Name5-ethyl-1,2,3,4-tetrahydro-s-indacene
PubChem CID142424223
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name5-ethyl-1,2,3,4-tetrahydro-s-indacene
SMILESCCC1=C2CC3=C(C=C2C=C1)CCC3
InChIInChI=1S/C14H16/c1-2-10-6-7-13-8-11-4-3-5-12(11)9-14(10)13/h6-8H,2-5,9H2,1H3
InChIKeyDZOBSCWTFIXJBT-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[dimethyl(4,5,6,7-tetrahydro-1H-inden-2-yl)silyl]-dimethyl-(4,5,6,7-tetrahydro-1H-inden-2-yl)silane
CID 101245241
2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium
CID 175289139
ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
CID 144672111
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
bicyclo[5.1.0]octa-1(7),2-diene
CID 123578884
6-methylbicyclo[3.2.0]hepta-1(5),6-diene
CID 91189897
1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene
CID 23282026
octane;4,5,6,7-tetrahydro-1H-indene
CID 175604170
ethane;2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 177053758
2-butyl-5-cyclobutylidenecyclopenta-1,3-diene
CID 151775012
9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene
CID 23282038
3,4,5,6,7,8-hexahydronaphthalene-2-thiol
CID 130336361

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,4-tetrahydro-s-indacene?
The IUPAC name of 5-ethyl-1,2,3,4-tetrahydro-s-indacene (CID 142424223) is 5-ethyl-1,2,3,4-tetrahydro-s-indacene.
What is the SMILES notation for 5-ethyl-1,2,3,4-tetrahydro-s-indacene?
The canonical SMILES for 5-ethyl-1,2,3,4-tetrahydro-s-indacene is CCC1=C2CC3=C(C=C2C=C1)CCC3.
What is the InChIKey of 5-ethyl-1,2,3,4-tetrahydro-s-indacene?
The InChIKey is DZOBSCWTFIXJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-10-6-7-13-8-11-4-3-5-12(11)9-14(10)13/h6-8H,2-5,9H2,1H3.
What are the key properties of 5-ethyl-1,2,3,4-tetrahydro-s-indacene?
5-ethyl-1,2,3,4-tetrahydro-s-indacene has a molecular weight of 184.28 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,4-tetrahydro-s-indacene is sourced from PubChem (CID 142424223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).