(14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane

C34H38S4Si2 — CID 132513136

IUPAC(14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane
SMILESCCCc1c(CCC)c2sc3cc([Si](C)(C)C)c4sccc4c3c2c2c1sc1cc([Si](C)(C)C)c3sccc3c12
InChIInChI=1S/C34H38S4Si2/c1-9-11-19-20(12-10-2)34-30(28-22-14-16-36-32(22)26(40(6,7)8)18-24(28)38-34)29-27-21-13-15-35-31(21)25(39(3,4)5)17-23(27)37-33(19)29/h13-18H,9-12H2,1-8H3
InChIKeyYTBOTQXDOAHRTF-UHFFFAOYSA-N
MW631.12 g/mol
LogP11.85
Rot. Bonds6

About (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane

(14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane (PubChem CID 132513136) has the molecular formula C34H38S4Si2 and a molecular weight of 631.12 g/mol. Its IUPAC name is (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane.

Molecular Properties

Compound Name(14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane
PubChem CID132513136
Molecular FormulaC34H38S4Si2
Molecular Weight631.12 g/mol
Exact Mass630.14
IUPAC Name(14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane
SMILESCCCc1c(CCC)c2sc3cc([Si](C)(C)C)c4sccc4c3c2c2c1sc1cc([Si](C)(C)C)c3sccc3c12
InChIInChI=1S/C34H38S4Si2/c1-9-11-19-20(12-10-2)34-30(28-22-14-16-36-32(22)26(40(6,7)8)18-24(28)38-34)29-27-21-13-15-35-31(21)25(39(3,4)5)17-23(27)37-33(19)29/h13-18H,9-12H2,1-8H3
InChIKeyYTBOTQXDOAHRTF-UHFFFAOYSA-N
XLogP11.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.12
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane?
The IUPAC name of (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane (CID 132513136) is (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane.
What is the SMILES notation for (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane?
The canonical SMILES for (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane is CCCc1c(CCC)c2sc3cc([Si](C)(C)C)c4sccc4c3c2c2c1sc1cc([Si](C)(C)C)c3sccc3c12.
What is the InChIKey of (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane?
The InChIKey is YTBOTQXDOAHRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38S4Si2/c1-9-11-19-20(12-10-2)34-30(28-22-14-16-36-32(22)26(40(6,7)8)18-24(28)38-34)29-27-21-13-15-35-31(21)25(39(3,4)5)17-23(27)37-33(19)29/h13-18H,9-12H2,1-8H3.
What are the key properties of (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane?
(14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane has a molecular weight of 631.12 g/mol, XLogP of 11.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (14,15-dipropyl-20-trimethylsilyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaen-9-yl)-trimethylsilane is sourced from PubChem (CID 132513136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).