(1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene

C23H32O3 — CID 54590742

IUPAC(1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene
SMILESCOc1cc2c(cc1OC)[C@H]1[C@@H](O2)[C@H](C)CC=C2C(C)(C)CCC[C@@]21C
InChIInChI=1S/C23H32O3/c1-14-8-9-19-22(2,3)10-7-11-23(19,4)20-15-12-17(24-5)18(25-6)13-16(15)26-21(14)20/h9,12-14,20-21H,7-8,10-11H2,1-6H3/t14-,20+,21+,23+/m1/s1
InChIKeyLZARUCKPZZNRDU-UYILYCRRSA-N
MW356.51 g/mol
LogP5.73
Rot. Bonds2

About (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene

(1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene (PubChem CID 54590742) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene.

Molecular Properties

Compound Name(1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene
PubChem CID54590742
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name(1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene
SMILESCOc1cc2c(cc1OC)[C@H]1[C@@H](O2)[C@H](C)CC=C2C(C)(C)CCC[C@@]21C
InChIInChI=1S/C23H32O3/c1-14-8-9-19-22(2,3)10-7-11-23(19,4)20-15-12-17(24-5)18(25-6)13-16(15)26-21(14)20/h9,12-14,20-21H,7-8,10-11H2,1-6H3/t14-,20+,21+,23+/m1/s1
InChIKeyLZARUCKPZZNRDU-UYILYCRRSA-N
XLogP5.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene with MolForge

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Related Compounds

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ethyl 2-[(7R,11S)-7-[2-(2-ethoxy-2-oxoethyl)-4,5-dimethoxyphenyl]-3,3,10-trimethyl-1,5-dioxo-2,4-dioxaspiro[5.5]undec-9-en-11-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene?
The IUPAC name of (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene (CID 54590742) is (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene.
What is the SMILES notation for (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene?
The canonical SMILES for (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene is COc1cc2c(cc1OC)[C@H]1[C@@H](O2)[C@H](C)CC=C2C(C)(C)CCC[C@@]21C.
What is the InChIKey of (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene?
The InChIKey is LZARUCKPZZNRDU-UYILYCRRSA-N. The full InChI is InChI=1S/C23H32O3/c1-14-8-9-19-22(2,3)10-7-11-23(19,4)20-15-12-17(24-5)18(25-6)13-16(15)26-21(14)20/h9,12-14,20-21H,7-8,10-11H2,1-6H3/t14-,20+,21+,23+/m1/s1.
What are the key properties of (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene?
(1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene has a molecular weight of 356.51 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,10R,11S)-15,16-dimethoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-7,13,15,17-tetraene is sourced from PubChem (CID 54590742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).