4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene

C18H24O — CID 67366921

IUPAC4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene
SMILESCC1=COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C
InChIInChI=1S/C18H24O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-9,12H,10H2,1-6H3
InChIKeyCJEZOLGKXQSONK-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.78
Rot. Bonds

About 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene

4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene (PubChem CID 67366921) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene.

Molecular Properties

Compound Name4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene
PubChem CID67366921
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene
SMILESCC1=COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C
InChIInChI=1S/C18H24O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-9,12H,10H2,1-6H3
InChIKeyCJEZOLGKXQSONK-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene?
The IUPAC name of 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene (CID 67366921) is 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene.
What is the SMILES notation for 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene?
The canonical SMILES for 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene is CC1=COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C.
What is the InChIKey of 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene?
The InChIKey is CJEZOLGKXQSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-9,12H,10H2,1-6H3.
What are the key properties of 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene?
4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene has a molecular weight of 256.39 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6,7,8,8-hexamethyl-1,7-dihydrocyclopenta[g]isochromene is sourced from PubChem (CID 67366921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).