6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran

C14H22O — CID 170841927

IUPAC6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran
SMILESCC1CC(C)(C)C2=CCC3COCC3C21
InChIInChI=1S/C14H22O/c1-9-6-14(2,3)12-5-4-10-7-15-8-11(10)13(9)12/h5,9-11,13H,4,6-8H2,1-3H3
InChIKeyWSYMULHKQHGSSU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.26
Rot. Bonds

About 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran

6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran (PubChem CID 170841927) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran.

Molecular Properties

Compound Name6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran
PubChem CID170841927
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran
SMILESCC1CC(C)(C)C2=CCC3COCC3C21
InChIInChI=1S/C14H22O/c1-9-6-14(2,3)12-5-4-10-7-15-8-11(10)13(9)12/h5,9-11,13H,4,6-8H2,1-3H3
InChIKeyWSYMULHKQHGSSU-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran?
The IUPAC name of 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran (CID 170841927) is 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran.
What is the SMILES notation for 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran?
The canonical SMILES for 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran is CC1CC(C)(C)C2=CCC3COCC3C21.
What is the InChIKey of 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran?
The InChIKey is WSYMULHKQHGSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9-6-14(2,3)12-5-4-10-7-15-8-11(10)13(9)12/h5,9-11,13H,4,6-8H2,1-3H3.
What are the key properties of 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran?
6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran has a molecular weight of 206.33 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8-trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran is sourced from PubChem (CID 170841927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).