1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone

C16H24O2 — CID 11218877

IUPAC1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC2(C1)C[C@H]1CC[C@]2(C)C1(C)C
InChIInChI=1S/C16H24O2/c1-10(17)13-9-16(18-11(13)2)8-12-6-7-15(16,5)14(12,3)4/h12H,6-9H2,1-5H3/t12-,15-,16?/m1/s1
InChIKeyKLHULOGUUOXPGW-CEPMMTIFSA-N
MW248.37 g/mol
LogP3.85
Rot. Bonds1

About 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone

1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone (PubChem CID 11218877) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone.

Molecular Properties

Compound Name1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone
PubChem CID11218877
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC2(C1)C[C@H]1CC[C@]2(C)C1(C)C
InChIInChI=1S/C16H24O2/c1-10(17)13-9-16(18-11(13)2)8-12-6-7-15(16,5)14(12,3)4/h12H,6-9H2,1-5H3/t12-,15-,16?/m1/s1
InChIKeyKLHULOGUUOXPGW-CEPMMTIFSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone
CID 10633477
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 88706988
(2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl) 2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 141422375
1-(1,7,7-trimethyl-1',1'-dioxospiro[bicyclo[2.2.1]heptane-2,3'-thiaziridine]-2'-yl)ethanone
CID 22336195
[(1S,6S)-6-tert-butyl-3,4-dimethylcyclohex-3-en-1-yl]-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanone
CID 45139263
[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 141031450
2-[(1S,2R,4S)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 40630705
2-[(1S,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 18778152
(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 10721413
(E)-1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,4-dimethylpent-2-en-1-one
CID 45139470

Frequently Asked Questions

What is the IUPAC name of 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone?
The IUPAC name of 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone (CID 11218877) is 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone.
What is the SMILES notation for 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone?
The canonical SMILES for 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone is CC(=O)C1=C(C)OC2(C1)C[C@H]1CC[C@]2(C)C1(C)C.
What is the InChIKey of 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone?
The InChIKey is KLHULOGUUOXPGW-CEPMMTIFSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(17)13-9-16(18-11(13)2)8-12-6-7-15(16,5)14(12,3)4/h12H,6-9H2,1-5H3/t12-,15-,16?/m1/s1.
What are the key properties of 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone?
1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone has a molecular weight of 248.37 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone is sourced from PubChem (CID 11218877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).