[(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol

C25H52O6Si — CID 71189081

IUPAC[(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol
SMILESCCCCO[C@@H]1[C@@H](OCCCC)[C@H](CO)O[C@H](CCC(C)(C)[Si](C)(C)O)[C@H]1OCCCC
InChIInChI=1S/C25H52O6Si/c1-8-11-16-28-22-20(14-15-25(4,5)32(6,7)27)31-21(19-26)23(29-17-12-9-2)24(22)30-18-13-10-3/h20-24,26-27H,8-19H2,1-7H3/t20-,21+,22-,23+,24+/m1/s1
InChIKeyCWAZUJSDDMHPAV-KNOCVWDGSA-N
MW476.77 g/mol
LogP5.06
Rot. Bonds17

About [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol

[(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol (PubChem CID 71189081) has the molecular formula C25H52O6Si and a molecular weight of 476.77 g/mol. Its IUPAC name is [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol
PubChem CID71189081
Molecular FormulaC25H52O6Si
Molecular Weight476.77 g/mol
Exact Mass476.35
IUPAC Name[(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol
SMILESCCCCO[C@@H]1[C@@H](OCCCC)[C@H](CO)O[C@H](CCC(C)(C)[Si](C)(C)O)[C@H]1OCCCC
InChIInChI=1S/C25H52O6Si/c1-8-11-16-28-22-20(14-15-25(4,5)32(6,7)27)31-21(19-26)23(29-17-12-9-2)24(22)30-18-13-10-3/h20-24,26-27H,8-19H2,1-7H3/t20-,21+,22-,23+,24+/m1/s1
InChIKeyCWAZUJSDDMHPAV-KNOCVWDGSA-N
XLogP5.06
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.77
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol?
The IUPAC name of [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol (CID 71189081) is [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol is CCCCO[C@@H]1[C@@H](OCCCC)[C@H](CO)O[C@H](CCC(C)(C)[Si](C)(C)O)[C@H]1OCCCC.
What is the InChIKey of [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol?
The InChIKey is CWAZUJSDDMHPAV-KNOCVWDGSA-N. The full InChI is InChI=1S/C25H52O6Si/c1-8-11-16-28-22-20(14-15-25(4,5)32(6,7)27)31-21(19-26)23(29-17-12-9-2)24(22)30-18-13-10-3/h20-24,26-27H,8-19H2,1-7H3/t20-,21+,22-,23+,24+/m1/s1.
What are the key properties of [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol?
[(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol has a molecular weight of 476.77 g/mol, XLogP of 5.06, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5R,6R)-3,4,5-tributoxy-6-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-2-yl]methanol is sourced from PubChem (CID 71189081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).