hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane

C27H56O7Si — CID 89353243

IUPAChydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane
SMILESCCCCO[C@@H]1[C@@H](OCCCC)[C@H](COCOC)O[C@H](CCC(C)(C)[Si](C)(C)O)[C@H]1OCCCC
InChIInChI=1S/C27H56O7Si/c1-9-12-17-31-24-22(15-16-27(4,5)35(7,8)28)34-23(20-30-21-29-6)25(32-18-13-10-2)26(24)33-19-14-11-3/h22-26,28H,9-21H2,1-8H3/t22-,23+,24-,25+,26+/m1/s1
InChIKeyWJSCQXXEQDCBTD-NRWDCXGPSA-N
MW520.82 g/mol
LogP5.69
Rot. Bonds20

About hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane

hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane (PubChem CID 89353243) has the molecular formula C27H56O7Si and a molecular weight of 520.82 g/mol. Its IUPAC name is hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane
PubChem CID89353243
Molecular FormulaC27H56O7Si
Molecular Weight520.82 g/mol
Exact Mass520.38
IUPAC Namehydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane
SMILESCCCCO[C@@H]1[C@@H](OCCCC)[C@H](COCOC)O[C@H](CCC(C)(C)[Si](C)(C)O)[C@H]1OCCCC
InChIInChI=1S/C27H56O7Si/c1-9-12-17-31-24-22(15-16-27(4,5)35(7,8)28)34-23(20-30-21-29-6)25(32-18-13-10-2)26(24)33-19-14-11-3/h22-26,28H,9-21H2,1-8H3/t22-,23+,24-,25+,26+/m1/s1
InChIKeyWJSCQXXEQDCBTD-NRWDCXGPSA-N
XLogP5.69
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.82
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane?
The IUPAC name of hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane (CID 89353243) is hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane.
What is the SMILES notation for hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane?
The canonical SMILES for hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane is CCCCO[C@@H]1[C@@H](OCCCC)[C@H](COCOC)O[C@H](CCC(C)(C)[Si](C)(C)O)[C@H]1OCCCC.
What is the InChIKey of hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane?
The InChIKey is WJSCQXXEQDCBTD-NRWDCXGPSA-N. The full InChI is InChI=1S/C27H56O7Si/c1-9-12-17-31-24-22(15-16-27(4,5)35(7,8)28)34-23(20-30-21-29-6)25(32-18-13-10-2)26(24)33-19-14-11-3/h22-26,28H,9-21H2,1-8H3/t22-,23+,24-,25+,26+/m1/s1.
What are the key properties of hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane?
hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane has a molecular weight of 520.82 g/mol, XLogP of 5.69, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[2-methyl-4-[(2R,3R,4S,5S,6S)-3,4,5-tributoxy-6-(methoxymethoxymethyl)oxan-2-yl]butan-2-yl]silane is sourced from PubChem (CID 89353243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).