9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]

C20H25NO4 — CID 10936841

IUPAC9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]
SMILESCOc1ccc2c3c1OC1CC4(C=CC31CCN(C)C2)OCC(C)O4
InChIInChI=1S/C20H25NO4/c1-13-12-23-20(25-13)7-6-19-8-9-21(2)11-14-4-5-15(22-3)18(17(14)19)24-16(19)10-20/h4-7,13,16H,8-12H2,1-3H3
InChIKeyIWVWTRNSGFWTJA-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.62
Rot. Bonds1

About 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]

9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene] (PubChem CID 10936841) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene].

Molecular Properties

Compound Name9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]
PubChem CID10936841
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]
SMILESCOc1ccc2c3c1OC1CC4(C=CC31CCN(C)C2)OCC(C)O4
InChIInChI=1S/C20H25NO4/c1-13-12-23-20(25-13)7-6-19-8-9-21(2)11-14-4-5-15(22-3)18(17(14)19)24-16(19)10-20/h4-7,13,16H,8-12H2,1-3H3
InChIKeyIWVWTRNSGFWTJA-UHFFFAOYSA-N
XLogP2.62
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene] with MolForge

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Related Compounds

(4S)-9'-methoxy-4-methyl-5'-oxospiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]-4'-carbaldehyde
CID 59883911
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 3449
(12R,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-amine
CID 173120379
(12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol;hydrobromide
CID 51051784
hydron;9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol;bromide
CID 72682946
(1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one;trifluoroborane
CID 15981308
(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)hydrazine
CID 73303132
[(1R,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] hydrogen sulfite
CID 59825486
N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine
CID 69463411
[(1R,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] sulfite
CID 59825485
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol;2-methylpropanoic acid
CID 68657756
[(12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] propanoate
CID 16667186

Frequently Asked Questions

What is the IUPAC name of 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]?
The IUPAC name of 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene] (CID 10936841) is 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene].
What is the SMILES notation for 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]?
The canonical SMILES for 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene] is COc1ccc2c3c1OC1CC4(C=CC31CCN(C)C2)OCC(C)O4.
What is the InChIKey of 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]?
The InChIKey is IWVWTRNSGFWTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-12-23-20(25-13)7-6-19-8-9-21(2)11-14-4-5-15(22-3)18(17(14)19)24-16(19)10-20/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene]?
9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene] has a molecular weight of 343.42 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-methoxy-4,4'-dimethylspiro[1,3-dioxolane-2,14'-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene] is sourced from PubChem (CID 10936841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).