methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane

C33H32O10Si — CID 54361273

IUPACmethoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane
SMILESCOc1cc2oc3c(c2cc1OC)c1oc2cc(OC)c(OC[Si](C)(C)OC)cc2c1c1oc2cc(OC)c(OC)cc2c31
InChIInChI=1S/C33H32O10Si/c1-34-22-9-16-19(12-24(22)36-3)41-31-28-17-10-23(35-2)25(37-4)13-20(17)42-32(28)30-18-11-27(40-15-44(7,8)39-6)26(38-5)14-21(18)43-33(30)29(16)31/h9-14H,15H2,1-8H3
InChIKeyUMRFOVRMDCJKQN-UHFFFAOYSA-N
MW616.70 g/mol
LogP8.20
Rot. Bonds9

About methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane

methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane (PubChem CID 54361273) has the molecular formula C33H32O10Si and a molecular weight of 616.70 g/mol. Its IUPAC name is methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane.

Molecular Properties

Compound Namemethoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane
PubChem CID54361273
Molecular FormulaC33H32O10Si
Molecular Weight616.70 g/mol
Exact Mass616.18
IUPAC Namemethoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane
SMILESCOc1cc2oc3c(c2cc1OC)c1oc2cc(OC)c(OC[Si](C)(C)OC)cc2c1c1oc2cc(OC)c(OC)cc2c31
InChIInChI=1S/C33H32O10Si/c1-34-22-9-16-19(12-24(22)36-3)41-31-28-17-10-23(35-2)25(37-4)13-20(17)42-32(28)30-18-11-27(40-15-44(7,8)39-6)26(38-5)14-21(18)43-33(30)29(16)31/h9-14H,15H2,1-8H3
InChIKeyUMRFOVRMDCJKQN-UHFFFAOYSA-N
XLogP8.20
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.70
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane?
The IUPAC name of methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane (CID 54361273) is methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane.
What is the SMILES notation for methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane?
The canonical SMILES for methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane is COc1cc2oc3c(c2cc1OC)c1oc2cc(OC)c(OC[Si](C)(C)OC)cc2c1c1oc2cc(OC)c(OC)cc2c31.
What is the InChIKey of methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane?
The InChIKey is UMRFOVRMDCJKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O10Si/c1-34-22-9-16-19(12-24(22)36-3)41-31-28-17-10-23(35-2)25(37-4)13-20(17)42-32(28)30-18-11-27(40-15-44(7,8)39-6)26(38-5)14-21(18)43-33(30)29(16)31/h9-14H,15H2,1-8H3.
What are the key properties of methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane?
methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane has a molecular weight of 616.70 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-[(6,14,15,23,24-pentamethoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl)oxymethyl]silane is sourced from PubChem (CID 54361273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).