4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene

C18H26O — CID 121408619

IUPAC4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene
SMILESCc1c2c(cc3c1C(C)C(C)C3(C)C)COCC2C
InChIInChI=1S/C18H26O/c1-10-8-19-9-14-7-15-17(12(3)16(10)14)11(2)13(4)18(15,5)6/h7,10-11,13H,8-9H2,1-6H3
InChIKeyUUNBCWOCWXAEFH-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.66
Rot. Bonds

About 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene

4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene (PubChem CID 121408619) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene.

Molecular Properties

Compound Name4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene
PubChem CID121408619
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene
SMILESCc1c2c(cc3c1C(C)C(C)C3(C)C)COCC2C
InChIInChI=1S/C18H26O/c1-10-8-19-9-14-7-15-17(12(3)16(10)14)11(2)13(4)18(15,5)6/h7,10-11,13H,8-9H2,1-6H3
InChIKeyUUNBCWOCWXAEFH-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene?
The IUPAC name of 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene (CID 121408619) is 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene.
What is the SMILES notation for 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene?
The canonical SMILES for 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene is Cc1c2c(cc3c1C(C)C(C)C3(C)C)COCC2C.
What is the InChIKey of 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene?
The InChIKey is UUNBCWOCWXAEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-10-8-19-9-14-7-15-17(12(3)16(10)14)11(2)13(4)18(15,5)6/h7,10-11,13H,8-9H2,1-6H3.
What are the key properties of 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene?
4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene has a molecular weight of 258.40 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene is sourced from PubChem (CID 121408619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).