tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane

C34H54O6Si — CID 11444665

IUPACtri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane
SMILESCCCc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c2c(c1OC(C)C)-c1c(cc(OC)c(OC)c1OC)CCC2OC
InChIInChI=1S/C34H54O6Si/c1-14-15-25-19-27(40-41(21(4)5,22(6)7)23(8)9)30-26(35-10)17-16-24-18-28(36-11)33(37-12)34(38-13)29(24)31(30)32(25)39-20(2)3/h18-23,26H,14-17H2,1-13H3
InChIKeyJQMZMDNNCYDTFM-UHFFFAOYSA-N
MW586.89 g/mol
LogP9.31
Rot. Bonds13

About tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane

tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane (PubChem CID 11444665) has the molecular formula C34H54O6Si and a molecular weight of 586.89 g/mol. Its IUPAC name is tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane
PubChem CID11444665
Molecular FormulaC34H54O6Si
Molecular Weight586.89 g/mol
Exact Mass586.37
IUPAC Nametri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane
SMILESCCCc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c2c(c1OC(C)C)-c1c(cc(OC)c(OC)c1OC)CCC2OC
InChIInChI=1S/C34H54O6Si/c1-14-15-25-19-27(40-41(21(4)5,22(6)7)23(8)9)30-26(35-10)17-16-24-18-28(36-11)33(37-12)34(38-13)29(24)31(30)32(25)39-20(2)3/h18-23,26H,14-17H2,1-13H3
InChIKeyJQMZMDNNCYDTFM-UHFFFAOYSA-N
XLogP9.31
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.89
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(8S)-6-ethoxy-8,13,14,15-tetramethoxy-4-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-3-ol
CID 101186647
(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate
CID 11327880
(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol
CID 101186634
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109
5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
CID 112514008
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
7-hydroxy-2,3,4-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71271654
5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine
CID 632120
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
7-(dimethylamino)-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 632895
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
(7S)-10-hydroxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 14832010

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane?
The IUPAC name of tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane (CID 11444665) is tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane is CCCc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c2c(c1OC(C)C)-c1c(cc(OC)c(OC)c1OC)CCC2OC.
What is the InChIKey of tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane?
The InChIKey is JQMZMDNNCYDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O6Si/c1-14-15-25-19-27(40-41(21(4)5,22(6)7)23(8)9)30-26(35-10)17-16-24-18-28(36-11)33(37-12)34(38-13)29(24)31(30)32(25)39-20(2)3/h18-23,26H,14-17H2,1-13H3.
What are the key properties of tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane?
tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane has a molecular weight of 586.89 g/mol, XLogP of 9.31, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane is sourced from PubChem (CID 11444665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).