2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene

C18H26O — CID 68562386

IUPAC2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene
SMILESCC1(C)OC2=C3C=CC=C3CCC2C(C)(C)C1(C)C
InChIInChI=1S/C18H26O/c1-16(2)14-11-10-12-8-7-9-13(12)15(14)19-18(5,6)17(16,3)4/h7-9,14H,10-11H2,1-6H3
InChIKeyQYZSCAXYTWMYHH-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.01
Rot. Bonds

About 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene

2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene (PubChem CID 68562386) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene
PubChem CID68562386
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene
SMILESCC1(C)OC2=C3C=CC=C3CCC2C(C)(C)C1(C)C
InChIInChI=1S/C18H26O/c1-16(2)14-11-10-12-8-7-9-13(12)15(14)19-18(5,6)17(16,3)4/h7-9,14H,10-11H2,1-6H3
InChIKeyQYZSCAXYTWMYHH-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene?
The IUPAC name of 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene (CID 68562386) is 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene.
What is the SMILES notation for 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene?
The canonical SMILES for 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene is CC1(C)OC2=C3C=CC=C3CCC2C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene?
The InChIKey is QYZSCAXYTWMYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-16(2)14-11-10-12-8-7-9-13(12)15(14)19-18(5,6)17(16,3)4/h7-9,14H,10-11H2,1-6H3.
What are the key properties of 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene?
2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene has a molecular weight of 258.40 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethyl-5,6-dihydro-4aH-cyclopenta[h]chromene is sourced from PubChem (CID 68562386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).