8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene

C18H26O — CID 10220788

IUPAC8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
SMILESCCC1(C)CC(C)(C)c2cc3c(cc21)COCC3C
InChIInChI=1S/C18H26O/c1-6-18(5)11-17(3,4)15-8-14-12(2)9-19-10-13(14)7-16(15)18/h7-8,12H,6,9-11H2,1-5H3
InChIKeyBYAUGQHXQRQQPB-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.67
Rot. Bonds1

About 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene

8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (PubChem CID 10220788) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene.

Molecular Properties

Compound Name8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
PubChem CID10220788
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
SMILESCCC1(C)CC(C)(C)c2cc3c(cc21)COCC3C
InChIInChI=1S/C18H26O/c1-6-18(5)11-17(3,4)15-8-14-12(2)9-19-10-13(14)7-16(15)18/h7-8,12H,6,9-11H2,1-5H3
InChIKeyBYAUGQHXQRQQPB-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
The IUPAC name of 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (CID 10220788) is 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene.
What is the SMILES notation for 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
The canonical SMILES for 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene is CCC1(C)CC(C)(C)c2cc3c(cc21)COCC3C.
What is the InChIKey of 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
The InChIKey is BYAUGQHXQRQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-6-18(5)11-17(3,4)15-8-14-12(2)9-19-10-13(14)7-16(15)18/h7-8,12H,6,9-11H2,1-5H3.
What are the key properties of 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene has a molecular weight of 258.40 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene is sourced from PubChem (CID 10220788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).