3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene

C24H28Br4O7 — CID 11994060

IUPAC3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene
SMILESCOc1cc(CBr)c(Br)c2c1OCCOCCOCCOCCOc1c(OC)cc(CBr)c(Br)c1-2
InChIInChI=1S/C24H28Br4O7/c1-29-17-11-15(13-25)21(27)19-20-22(28)16(14-26)12-18(30-2)24(20)35-10-8-33-6-4-31-3-5-32-7-9-34-23(17)19/h11-12H,3-10,13-14H2,1-2H3
InChIKeyBRBGIZXGQSQLQZ-UHFFFAOYSA-N
MW748.10 g/mol
LogP6.51
Rot. Bonds4

About 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene

3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene (PubChem CID 11994060) has the molecular formula C24H28Br4O7 and a molecular weight of 748.10 g/mol. Its IUPAC name is 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene.

Molecular Properties

Compound Name3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene
PubChem CID11994060
Molecular FormulaC24H28Br4O7
Molecular Weight748.10 g/mol
Exact Mass743.86
IUPAC Name3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene
SMILESCOc1cc(CBr)c(Br)c2c1OCCOCCOCCOCCOc1c(OC)cc(CBr)c(Br)c1-2
InChIInChI=1S/C24H28Br4O7/c1-29-17-11-15(13-25)21(27)19-20-22(28)16(14-26)12-18(30-2)24(20)35-10-8-33-6-4-31-3-5-32-7-9-34-23(17)19/h11-12H,3-10,13-14H2,1-2H3
InChIKeyBRBGIZXGQSQLQZ-UHFFFAOYSA-N
XLogP6.51
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.10
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene 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

6,16-bis(bromomethyl)-25-methoxy-4,18,23-trimethyl-8,11,14-trioxatetracyclo[19.3.1.02,7.015,20]pentacosa-1(24),2,4,6,15,17,19,21(25),22-nonaene
CID 10722130
6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
CID 130420635
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
17,18-bis(bromomethyl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 11419643
17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 5251455
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 117461046
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanal
CID 117458946
2-(4-bromo-7-methoxy-1,3-benzodioxol-5-yl)acetonitrile
CID 53465742
7-bromo-9-methoxy-4,5-dihydro-1,3-benzodioxepine
CID 59517213
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 131600341

Frequently Asked Questions

What is the IUPAC name of 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene?
The IUPAC name of 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene (CID 11994060) is 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene.
What is the SMILES notation for 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene?
The canonical SMILES for 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene is COc1cc(CBr)c(Br)c2c1OCCOCCOCCOCCOc1c(OC)cc(CBr)c(Br)c1-2.
What is the InChIKey of 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene?
The InChIKey is BRBGIZXGQSQLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Br4O7/c1-29-17-11-15(13-25)21(27)19-20-22(28)16(14-26)12-18(30-2)24(20)35-10-8-33-6-4-31-3-5-32-7-9-34-23(17)19/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene?
3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene has a molecular weight of 748.10 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene is sourced from PubChem (CID 11994060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).