[(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate

C19H24O6 — CID 70239801

IUPAC[(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate
SMILESCCOC(=O)O[C@H]1[C@@H](OC)C=C2C=C3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C
InChIInChI=1S/C19H24O6/c1-6-23-18(21)25-16-11(3)19(4)9-13-10(2)17(20)24-14(13)7-12(19)8-15(16)22-5/h7-8,11,15-16H,6,9H2,1-5H3/t11-,15-,16+,19+/m0/s1
InChIKeyQAHPYAJZVRWFMJ-MYRBDLLGSA-N
MW348.40 g/mol
LogP3.29
Rot. Bonds3

About [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate

[(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate (PubChem CID 70239801) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate.

Molecular Properties

Compound Name[(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate
PubChem CID70239801
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name[(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate
SMILESCCOC(=O)O[C@H]1[C@@H](OC)C=C2C=C3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C
InChIInChI=1S/C19H24O6/c1-6-23-18(21)25-16-11(3)19(4)9-13-10(2)17(20)24-14(13)7-12(19)8-15(16)22-5/h7-8,11,15-16H,6,9H2,1-5H3/t11-,15-,16+,19+/m0/s1
InChIKeyQAHPYAJZVRWFMJ-MYRBDLLGSA-N
XLogP3.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate 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

[(4aR,5R,6R,7S)-3,4a,5-trimethyl-2-oxo-6-propanoyloxy-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-7-yl] cyclopropanecarboxylate
CID 70240411
[(4aR,5R,6R,7R)-7-ethoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] thiophene-2-carboxylate
CID 70239807
(7-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl) propanoate
CID 21188193
[(4aR,5R,6R,7R)-7-acetyloxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] furan-2-carboxylate
CID 70240436
[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] 4-fluoropiperidine-1-carboxylate
CID 139899481
(4aR,5R,6R,7R)-7-ethoxy-6-hydroxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one;ethanol
CID 159069231
[(4aR,5R,6R,7R)-6-hydroxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-7-yl] propanoate
CID 57067463
[(4aS,5R,6S)-5-hydroxy-3,4a,5-trimethyl-2-oxo-6,7-dihydro-4H-benzo[f][1]benzofuran-6-yl] furan-2-carboxylate
CID 139814361
ethyl [2,3,4,5-tetrakis(ethoxycarbonyloxy)-6-methoxycyclohexyl] carbonate
CID 118203008
(4aR,5R,6R,7R)-6-butoxy-7-hydroxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one
CID 57036876
6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one
CID 70240472
[(4S,4aR,5S)-3,4a,5-trimethyl-2,7-dioxo-5,6-dihydro-4H-benzo[f][1]benzofuran-4-yl] 2-methylprop-2-enoate
CID 132554816

Frequently Asked Questions

What is the IUPAC name of [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate?
The IUPAC name of [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate (CID 70239801) is [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate.
What is the SMILES notation for [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate?
The canonical SMILES for [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate is CCOC(=O)O[C@H]1[C@@H](OC)C=C2C=C3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C.
What is the InChIKey of [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate?
The InChIKey is QAHPYAJZVRWFMJ-MYRBDLLGSA-N. The full InChI is InChI=1S/C19H24O6/c1-6-23-18(21)25-16-11(3)19(4)9-13-10(2)17(20)24-14(13)7-12(19)8-15(16)22-5/h7-8,11,15-16H,6,9H2,1-5H3/t11-,15-,16+,19+/m0/s1.
What are the key properties of [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate?
[(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate has a molecular weight of 348.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,5R,6R,7S)-7-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] ethyl carbonate is sourced from PubChem (CID 70239801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).