26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

C36H44O4Si2 — CID 102517622

IUPAC26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
SMILESCOc1c2cccc1Cc1cc([Si](C)(C)C)cc(c1O)Cc1cccc(c1OC)Cc1cc([Si](C)(C)C)cc(c1O)C2
InChIInChI=1S/C36H44O4Si2/c1-39-35-23-11-9-12-24(35)16-28-20-32(42(6,7)8)22-30(34(28)38)18-26-14-10-13-25(36(26)40-2)17-29-21-31(41(3,4)5)19-27(15-23)33(29)37/h9-14,19-22,37-38H,15-18H2,1-8H3
InChIKeyABVINPRCFKPPLS-UHFFFAOYSA-N
MW596.92 g/mol
LogP6.88
Rot. Bonds4

About 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (PubChem CID 102517622) has the molecular formula C36H44O4Si2 and a molecular weight of 596.92 g/mol. Its IUPAC name is 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.

Molecular Properties

Compound Name26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
PubChem CID102517622
Molecular FormulaC36H44O4Si2
Molecular Weight596.92 g/mol
Exact Mass596.28
IUPAC Name26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
SMILESCOc1c2cccc1Cc1cc([Si](C)(C)C)cc(c1O)Cc1cccc(c1OC)Cc1cc([Si](C)(C)C)cc(c1O)C2
InChIInChI=1S/C36H44O4Si2/c1-39-35-23-11-9-12-24(35)16-28-20-32(42(6,7)8)22-30(34(28)38)18-26-14-10-13-25(36(26)40-2)17-29-21-31(41(3,4)5)19-27(15-23)33(29)37/h9-14,19-22,37-38H,15-18H2,1-8H3
InChIKeyABVINPRCFKPPLS-UHFFFAOYSA-N
XLogP6.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.92
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The IUPAC name of 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (CID 102517622) is 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.
What is the SMILES notation for 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The canonical SMILES for 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is COc1c2cccc1Cc1cc([Si](C)(C)C)cc(c1O)Cc1cccc(c1OC)Cc1cc([Si](C)(C)C)cc(c1O)C2.
What is the InChIKey of 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The InChIKey is ABVINPRCFKPPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44O4Si2/c1-39-35-23-11-9-12-24(35)16-28-20-32(42(6,7)8)22-30(34(28)38)18-26-14-10-13-25(36(26)40-2)17-29-21-31(41(3,4)5)19-27(15-23)33(29)37/h9-14,19-22,37-38H,15-18H2,1-8H3.
What are the key properties of 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol has a molecular weight of 596.92 g/mol, XLogP of 6.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26,28-dimethoxy-11,23-bis(trimethylsilyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is sourced from PubChem (CID 102517622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).