1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran

C18H32O — CID 140708568

IUPAC1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran
SMILESCC1CC2CCCC3OC(C)(C)C(C)(C)C23C1(C)C
InChIInChI=1S/C18H32O/c1-12-11-13-9-8-10-14-18(13,15(12,2)3)16(4,5)17(6,7)19-14/h12-14H,8-11H2,1-7H3
InChIKeyGQPPQNFGRFJIFJ-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.04
Rot. Bonds

About 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran

1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran (PubChem CID 140708568) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran.

Molecular Properties

Compound Name1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran
PubChem CID140708568
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran
SMILESCC1CC2CCCC3OC(C)(C)C(C)(C)C23C1(C)C
InChIInChI=1S/C18H32O/c1-12-11-13-9-8-10-14-18(13,15(12,2)3)16(4,5)17(6,7)19-14/h12-14H,8-11H2,1-7H3
InChIKeyGQPPQNFGRFJIFJ-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran with MolForge

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Related Compounds

(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
CID 135037220
(1S,2R,6S)-1-ethynyl-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 131857036
2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane
CID 150718845
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
2,2,3,3,4-pentamethyloxane
CID 140691979
8,8-dimethyl-1a,2,3,4,4a,5-hexahydrooxireno[2,3-e]isochromen-7-one
CID 121222556
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
CID 12914106
2-methyl-14-oxatricyclo[6.5.1.01,10]tetradecane
CID 123357788
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
4-[dibromo-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 59720798

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran?
The IUPAC name of 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran (CID 140708568) is 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran.
What is the SMILES notation for 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran?
The canonical SMILES for 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran is CC1CC2CCCC3OC(C)(C)C(C)(C)C23C1(C)C.
What is the InChIKey of 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran?
The InChIKey is GQPPQNFGRFJIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-12-11-13-9-8-10-14-18(13,15(12,2)3)16(4,5)17(6,7)19-14/h12-14H,8-11H2,1-7H3.
What are the key properties of 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran?
1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran has a molecular weight of 264.45 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,8,9,9-heptamethyl-4,5,6,6a,7,8-hexahydro-3aH-cyclopenta[d][1]benzofuran is sourced from PubChem (CID 140708568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).