(24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene

C30H40O2S — CID 102076237

IUPAC(24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene
SMILESCOc1c2cc3cc1/C(C)=C(/C)c1cc(cc(c1OC)CSC2)CCCCCCCCCC3
InChIInChI=1S/C30H40O2S/c1-21-22(2)28-18-24-14-12-10-8-6-5-7-9-11-13-23-15-25(29(31-3)27(21)17-23)19-33-20-26(16-24)30(28)32-4/h15-18H,5-14,19-20H2,1-4H3/b22-21-
InChIKeyQKSSIXCKGRWZEZ-DQRAZIAOSA-N
MW464.72 g/mol
LogP8.62
Rot. Bonds2

About (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene

(24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene (PubChem CID 102076237) has the molecular formula C30H40O2S and a molecular weight of 464.72 g/mol. Its IUPAC name is (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene.

Molecular Properties

Compound Name(24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene
PubChem CID102076237
Molecular FormulaC30H40O2S
Molecular Weight464.72 g/mol
Exact Mass464.27
IUPAC Name(24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene
SMILESCOc1c2cc3cc1/C(C)=C(/C)c1cc(cc(c1OC)CSC2)CCCCCCCCCC3
InChIInChI=1S/C30H40O2S/c1-21-22(2)28-18-24-14-12-10-8-6-5-7-9-11-13-23-15-25(29(31-3)27(21)17-23)19-33-20-26(16-24)30(28)32-4/h15-18H,5-14,19-20H2,1-4H3/b22-21-
InChIKeyQKSSIXCKGRWZEZ-DQRAZIAOSA-N
XLogP8.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene with MolForge

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Related Compounds

(2Z)-6,21-ditert-butyl-23,24-dimethoxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(22),2,4,6,8(24),19(23),20-heptaene
CID 102572261
7,15-ditert-butyl-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene
CID 12707941
19,24-dithiatetracyclo[13.7.3.13,21.113,17]heptacosa-1(22),2,13,15,17(27),21(26)-hexaene
CID 10810777
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
7,18-ditert-butyl-20,21-dimethyl-3-thiatricyclo[14.3.1.15,9]henicosa-1(19),5,7,9(21),16(20),17-hexaene
CID 10433185
18-methoxy-3,11-dithiatricyclo[11.2.2.15,9]octadeca-1(16),5(18),6,8,13(17),14-hexaene
CID 11289650
5,6-dimethoxy-1,3-dihydro-2-benzothiophene
CID 14985069
tetracyclo[9.9.5.13,19.19,13]heptacosa-1(20),2,9,11,13(27),19(26)-hexaene
CID 134981771
tetracyclo[12.12.8.13,25.112,16]hexatriaconta-1(26),2,12,14,16(36),25(35)-hexaene
CID 134982376
10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
CID 11013504
(2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde
CID 102076234
6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
CID 121337465

Frequently Asked Questions

What is the IUPAC name of (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene?
The IUPAC name of (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene (CID 102076237) is (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene.
What is the SMILES notation for (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene?
The canonical SMILES for (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene is COc1c2cc3cc1/C(C)=C(/C)c1cc(cc(c1OC)CSC2)CCCCCCCCCC3.
What is the InChIKey of (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene?
The InChIKey is QKSSIXCKGRWZEZ-DQRAZIAOSA-N. The full InChI is InChI=1S/C30H40O2S/c1-21-22(2)28-18-24-14-12-10-8-6-5-7-9-11-13-23-15-25(29(31-3)27(21)17-23)19-33-20-26(16-24)30(28)32-4/h15-18H,5-14,19-20H2,1-4H3/b22-21-.
What are the key properties of (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene?
(24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene has a molecular weight of 464.72 g/mol, XLogP of 8.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (24Z)-17,23-dimethoxy-24,25-dimethyl-20-thiatetracyclo[14.7.2.13,22.114,18]heptacosa-1,3(26),14(27),15,17,22,24-heptaene is sourced from PubChem (CID 102076237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).