CID 11597377

C23H40O6Si — CID 11597377

IUPAC—
SMILESC[C@@H]1C[C@H]2OC(O)C[C@H]2O[C@@]12CC[C@]1(CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)O2
InChIInChI=1S/C23H40O6Si/c1-16-14-18-19(15-20(24)26-18)28-23(16)12-11-22(29-23)10-7-8-17(27-22)9-13-25-30(5,6)21(2,3)4/h7-8,16-20,24H,9-15H2,1-6H3/t16-,17+,18-,19-,20?,22+,23-/m1/s1
InChIKeyWGZIRLMWNLGUJS-QSLIQFLESA-N
MW440.65 g/mol
LogP4.48
Rot. Bonds4

About CID 11597377

CID 11597377 (PubChem CID 11597377) has the molecular formula C23H40O6Si and a molecular weight of 440.65 g/mol.

Molecular Properties

Compound NameCID 11597377
PubChem CID11597377
Molecular FormulaC23H40O6Si
Molecular Weight440.65 g/mol
Exact Mass440.26
IUPAC Name—
SMILESC[C@@H]1C[C@H]2OC(O)C[C@H]2O[C@@]12CC[C@]1(CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)O2
InChIInChI=1S/C23H40O6Si/c1-16-14-18-19(15-20(24)26-18)28-23(16)12-11-22(29-23)10-7-8-17(27-22)9-13-25-30(5,6)21(2,3)4/h7-8,16-20,24H,9-15H2,1-6H3/t16-,17+,18-,19-,20?,22+,23-/m1/s1
InChIKeyWGZIRLMWNLGUJS-QSLIQFLESA-N
XLogP4.48
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.65
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(Z,1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,1R,4R)-5-(1,3-dioxolan-2-yl)-1-(methoxymethoxy)-4-methylpent-2-enyl]oxolan-2-yl]-2,3-bis(tributylstannyl)prop-2-en-1-ol
CID 138984961
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,1R,4R)-5-(1,3-dioxolan-2-yl)-1-(methoxymethoxy)-4-methylpent-2-enyl]oxolan-2-yl]methanol
CID 138985050
(3S,5R,7S,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-3,10,12-trimethyl-9-[(2S)-1-triethylsilyloxybutan-2-yl]-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-15-ol
CID 10897839
2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
CID 11453081
(1R,10S,14R,19R,24E,29R,30S,34R)-18-[(2S)-2,3-bis(triethylsilyloxy)propyl]-19-methoxy-12,29,34-trimethyl-6,13-dimethylidene-35-triethylsilyloxy-17,28,33,36,37,38-hexaoxahexacyclo[25.5.3.11,30.14,7.110,14.016,20]octatriacont-24-ene-22,31-diol
CID 173847483
(1S,2R,6R)-9-[2-[5-[2-[(6R)-6-[[(2S,4R,5R)-5-[(2S)-2,3-bis(triethylsilyloxy)propyl]-3-(2-hydroxyethyl)-4-methoxyoxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-4-prop-2-enyl-5-triethylsilyloxy-3,7,12-trioxatricyclo[6.3.1.12,6]tridecan-11-ol
CID 173847509
[(3S,4R,7S)-3-[(E)-3-[(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]prop-1-enyl]-4-methyl-2,6-dioxabicyclo[3.2.1]octan-7-yl]methanol
CID 175882110
[(2R,3S,4S,6S)-6-[(2S,3S)-2-[(1E)-hexa-1,5-dienyl]-1,4-dioxaspiro[4.5]decan-3-yl]-2-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-3-methyloxan-4-yl]oxy-tri(propan-2-yl)silane
CID 175882117
(1S,2R,3E)-1-[(2S,4S,5S,6R)-6-[(E)-3-[(3S,4R,7S)-7-(2-methoxyethoxymethoxymethyl)-4-methyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1-triethylsilyloxyocta-3,7-dien-2-ol
CID 175882121
tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
CID 10497252
(3S)-3-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]butane-1,2-diol
CID 10501305

Frequently Asked Questions

What is the IUPAC name of CID 11597377?
The IUPAC name of CID 11597377 (CID 11597377) is not available.
What is the SMILES notation for CID 11597377?
The canonical SMILES for CID 11597377 is C[C@@H]1C[C@H]2OC(O)C[C@H]2O[C@@]12CC[C@]1(CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)O2.
What is the InChIKey of CID 11597377?
The InChIKey is WGZIRLMWNLGUJS-QSLIQFLESA-N. The full InChI is InChI=1S/C23H40O6Si/c1-16-14-18-19(15-20(24)26-18)28-23(16)12-11-22(29-23)10-7-8-17(27-22)9-13-25-30(5,6)21(2,3)4/h7-8,16-20,24H,9-15H2,1-6H3/t16-,17+,18-,19-,20?,22+,23-/m1/s1.
What are the key properties of CID 11597377?
CID 11597377 has a molecular weight of 440.65 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11597377 is sourced from PubChem (CID 11597377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).