1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene

C18H24 — CID 20718988

IUPAC1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene
SMILESCC1=C(C)C(C)C2=C1CC1=C(C2)C(C)=C(C)C1C
InChIInChI=1S/C18H24/c1-9-11(3)15-7-17-13(5)10(2)14(6)18(17)8-16(15)12(9)4/h11,14H,7-8H2,1-6H3
InChIKeyZNTUUNJGETUFEW-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.35
Rot. Bonds

About 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene

1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene (PubChem CID 20718988) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene.

Molecular Properties

Compound Name1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene
PubChem CID20718988
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene
SMILESCC1=C(C)C(C)C2=C1CC1=C(C2)C(C)=C(C)C1C
InChIInChI=1S/C18H24/c1-9-11(3)15-7-17-13(5)10(2)14(6)18(17)8-16(15)12(9)4/h11,14H,7-8H2,1-6H3
InChIKeyZNTUUNJGETUFEW-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,3,4,4,5-hexamethyl-1,5,6,7-tetrahydroindene
CID 173224231
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
CID 74765453
carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
CID 155885990
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CID 173219892
(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride
CID 173246971
CID 10940628
CID 10940628
2,3-dimethylcyclopropen-1-ol
CID 58816589
propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 54181642
(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde
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1,2,3,6-tetramethylcyclohexene
CID 21243938

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene?
The IUPAC name of 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene (CID 20718988) is 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene.
What is the SMILES notation for 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene?
The canonical SMILES for 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene is CC1=C(C)C(C)C2=C1CC1=C(C2)C(C)=C(C)C1C.
What is the InChIKey of 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene?
The InChIKey is ZNTUUNJGETUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-9-11(3)15-7-17-13(5)10(2)14(6)18(17)8-16(15)12(9)4/h11,14H,7-8H2,1-6H3.
What are the key properties of 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene?
1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene has a molecular weight of 240.39 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene is sourced from PubChem (CID 20718988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).