1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene

C18H26O — CID 10199062

IUPAC1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene
SMILESCC1COCc2ccc3c(c21)C(C)(C)C(C)C3(C)C
InChIInChI=1S/C18H26O/c1-11-9-19-10-13-7-8-14-16(15(11)13)18(5,6)12(2)17(14,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyBLZYYGUCLYOUKL-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.53
Rot. Bonds

About 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene

1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene (PubChem CID 10199062) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene.

Molecular Properties

Compound Name1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene
PubChem CID10199062
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene
SMILESCC1COCc2ccc3c(c21)C(C)(C)C(C)C3(C)C
InChIInChI=1S/C18H26O/c1-11-9-19-10-13-7-8-14-16(15(11)13)18(5,6)12(2)17(14,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyBLZYYGUCLYOUKL-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91497
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CID 102714
7-Hydroxy-10-dehydroxydehydrodihydrobotr
CID 11402022
8-Ethyl-1,3,4,6,7,8-hexahydro-4,6,6,8-tetramethylcyclopenta(g)-2-benzopyran
CID 10220788
1,3,4,7,8,9-Hexahydro-4,7,7,8,9,9-hexamethylcyclopenta[h]-2-benzopyran
CID 9903278
(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol
CID 10704751
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CID 44234438
[(2R,5R,6R,9Z,13S)-17-(methoxymethyl)-6,10,13-trimethyl-5-[(2R)-6-methylheptan-2-yl]-13-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl] acetate
CID 44291368
(+/-)-1-O-Methoxycystercorodiol B
CID 170989598
Hexamethylindanopyran, (4R,7S)-
CID 14177989
Hexamethylindanopyran, (4S,7R)-
CID 14177990
Hexamethylindanopyran, (4S,7S)-
CID 14177991

Frequently Asked Questions

What is the IUPAC name of 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene?
The IUPAC name of 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene (CID 10199062) is 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene.
What is the SMILES notation for 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene?
The canonical SMILES for 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene is CC1COCc2ccc3c(c21)C(C)(C)C(C)C3(C)C.
What is the InChIKey of 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene?
The InChIKey is BLZYYGUCLYOUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-11-9-19-10-13-7-8-14-16(15(11)13)18(5,6)12(2)17(14,3)4/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene?
1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene has a molecular weight of 258.40 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7,8,9,9-hexamethyl-1,2,4,8-tetrahydrocyclopenta[f]isochromene is sourced from PubChem (CID 10199062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).