(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene

C24H40O5Si2 — CID 11328767

IUPAC(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene
SMILESC[Si]1(C)CC=C[C@H]2O[C@H]3CC[C@H]4O[C@H]5C=CC[Si](C)(C)O[C@@H]5CC[C@@H]4O[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C24H40O5Si2/c1-30(2)15-5-7-17-23(28-30)13-11-21-19(25-17)9-10-20-22(27-21)12-14-24-18(26-20)8-6-16-31(3,4)29-24/h5-8,17-24H,9-16H2,1-4H3/t17-,18+,19+,20-,21-,22+,23+,24-
InChIKeyHVWGPBZPCAKDGB-VKFXDHOHSA-N
MW464.75 g/mol
LogP4.95
Rot. Bonds

About (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene

(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene (PubChem CID 11328767) has the molecular formula C24H40O5Si2 and a molecular weight of 464.75 g/mol. Its IUPAC name is (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene.

Molecular Properties

Compound Name(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene
PubChem CID11328767
Molecular FormulaC24H40O5Si2
Molecular Weight464.75 g/mol
Exact Mass464.24
IUPAC Name(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene
SMILESC[Si]1(C)CC=C[C@H]2O[C@H]3CC[C@H]4O[C@H]5C=CC[Si](C)(C)O[C@@H]5CC[C@@H]4O[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C24H40O5Si2/c1-30(2)15-5-7-17-23(28-30)13-11-21-19(25-17)9-10-20-22(27-21)12-14-24-18(26-20)8-6-16-31(3,4)29-24/h5-8,17-24H,9-16H2,1-4H3/t17-,18+,19+,20-,21-,22+,23+,24-
InChIKeyHVWGPBZPCAKDGB-VKFXDHOHSA-N
XLogP4.95
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.75
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene with MolForge

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Related Compounds

(E,2R)-4-[(1S,3R,8S,10R,11R)-13,13,15,15-tetra(propan-2-yl)-4,9,12,14,16-pentaoxa-13,15-disilatricyclo[9.5.0.03,8]hexadecan-10-yl]but-3-ene-1,2-diol
CID 10887626
(E)-4-[(1S,3R,8S,10R,11R)-13,13,15,15-tetra(propan-2-yl)-4,9,12,14,16-pentaoxa-13,15-disilatricyclo[9.5.0.03,8]hexadecan-10-yl]but-3-ene-1,2-diol
CID 10940254
(1S,3R,8S,10R,11R)-10-[(1E)-buta-1,3-dienyl]-13,13,15,15-tetra(propan-2-yl)-4,9,12,14,16-pentaoxa-13,15-disilatricyclo[9.5.0.03,8]hexadecane
CID 10972909
(E,2S)-4-[(1S,3R,8S,10R,11R)-13,13,15,15-tetra(propan-2-yl)-4,9,12,14,16-pentaoxa-13,15-disilatricyclo[9.5.0.03,8]hexadecan-10-yl]but-3-ene-1,2-diol
CID 11094326
[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane
CID 11409825
(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene
CID 11448573
[(2R,3S,4aR,9aS)-3-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 16120441
(1R,3S,6R,8S,13R,16S,18R,21S,23R,26S,31R,33S)-2,7,12,17,22,27,32-heptaoxaheptacyclo[19.14.0.03,18.06,16.08,13.023,33.026,31]pentatriaconta-9,29-diene
CID 101162208

Frequently Asked Questions

What is the IUPAC name of (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene?
The IUPAC name of (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene (CID 11328767) is (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene.
What is the SMILES notation for (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene?
The canonical SMILES for (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene is C[Si]1(C)CC=C[C@H]2O[C@H]3CC[C@H]4O[C@H]5C=CC[Si](C)(C)O[C@@H]5CC[C@@H]4O[C@@H]3CC[C@@H]2O1.
What is the InChIKey of (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene?
The InChIKey is HVWGPBZPCAKDGB-VKFXDHOHSA-N. The full InChI is InChI=1S/C24H40O5Si2/c1-30(2)15-5-7-17-23(28-30)13-11-21-19(25-17)9-10-20-22(27-21)12-14-24-18(26-20)8-6-16-31(3,4)29-24/h5-8,17-24H,9-16H2,1-4H3/t17-,18+,19+,20-,21-,22+,23+,24-.
What are the key properties of (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene?
(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene has a molecular weight of 464.75 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene is sourced from PubChem (CID 11328767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).