4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one

C15H20O2 — CID 162815681

IUPAC4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one
SMILESCC1=C2OCCC2(C)C2CC(C)(C)C=C2C1=O
InChIInChI=1S/C15H20O2/c1-9-12(16)10-7-14(2,3)8-11(10)15(4)5-6-17-13(9)15/h7,11H,5-6,8H2,1-4H3
InChIKeyIWCUKSMMOSRCHQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.24
Rot. Bonds

About 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one

4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one (PubChem CID 162815681) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one.

Molecular Properties

Compound Name4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one
PubChem CID162815681
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one
SMILESCC1=C2OCCC2(C)C2CC(C)(C)C=C2C1=O
InChIInChI=1S/C15H20O2/c1-9-12(16)10-7-14(2,3)8-11(10)15(4)5-6-17-13(9)15/h7,11H,5-6,8H2,1-4H3
InChIKeyIWCUKSMMOSRCHQ-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phomophyllin A
CID 139589997
(1S,5R)-1-(ethoxymethyl)-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
CID 127041223
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
2-Isopropylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 23451695
(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one
CID 134905091
1-[(3aS,8aR)-3a-methyl-8-methylidene-3,4,7,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]ethanone
CID 135056132
1-(3a-methyl-8-methylidene-3,4,7,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl)ethanone
CID 139262222
2-Isobutylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 53650404
9-Isobutyloxyspiro[4.5]dec-8-en-7-one
CID 59602218
cyclohex-2-en-1-yl-(3,3-dimethyl-3a,6,7,7a-tetrahydro-2H-1-benzofuran-5-yl)methanone
CID 71124024
5-methoxy-2,2-dimethyl-3a,4-dihydro-3H-inden-1-one
CID 141236572
4-Cyclopentyl-3-ethoxycyclohex-2-en-1-one
CID 170402448

Frequently Asked Questions

What is the IUPAC name of 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
The IUPAC name of 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one (CID 162815681) is 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one.
What is the SMILES notation for 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
The canonical SMILES for 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one is CC1=C2OCCC2(C)C2CC(C)(C)C=C2C1=O.
What is the InChIKey of 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
The InChIKey is IWCUKSMMOSRCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-12(16)10-7-14(2,3)8-11(10)15(4)5-6-17-13(9)15/h7,11H,5-6,8H2,1-4H3.
What are the key properties of 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one has a molecular weight of 232.32 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one is sourced from PubChem (CID 162815681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).