(1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol

C6H14O6Si — CID 173358327

IUPAC(1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@H](O)C(O[SiH3])[C@@H](O)[C@H]1O
InChIInChI=1S/C6H14O6Si/c7-1-2(8)4(10)6(12-13)5(11)3(1)9/h1-11H,13H3/t1?,2-,3+,4-,5-,6?/m0/s1
InChIKeyZOBFJUKTZYXECO-LXOASSSBSA-N
MW210.26 g/mol
LogP-4.53
Rot. Bonds1

About (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol

(1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol (PubChem CID 173358327) has the molecular formula C6H14O6Si and a molecular weight of 210.26 g/mol. Its IUPAC name is (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol
PubChem CID173358327
Molecular FormulaC6H14O6Si
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name(1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@H](O)C(O[SiH3])[C@@H](O)[C@H]1O
InChIInChI=1S/C6H14O6Si/c7-1-2(8)4(10)6(12-13)5(11)3(1)9/h1-11H,13H3/t1?,2-,3+,4-,5-,6?/m0/s1
InChIKeyZOBFJUKTZYXECO-LXOASSSBSA-N
XLogP-4.53
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-4.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol
CID 173027659
(1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol
CID 91387854
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
cis-(1S,4R)-6-dimethylphosphoryloxycyclohexane-1,2,3,4,5-pentol
CID 121400591
[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyboronic acid
CID 91548997
(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol
CID 169443752
(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol
CID 139212358
(1S,2R,4S,5R)-6-(trifluoromethoxy)cyclohexane-1,2,3,4,5-pentol
CID 68595246
(1S,2S,4R,5S)-6-dihydroxyphosphinothioyloxycyclohexane-1,2,3,4,5-pentol
CID 14860413
[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
CID 101490616
(2,3,4,5,6-pentahydroxycyclohexyl) acetate
CID 19814832

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol (CID 173358327) is (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol is OC1[C@@H](O)[C@H](O)C(O[SiH3])[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol?
The InChIKey is ZOBFJUKTZYXECO-LXOASSSBSA-N. The full InChI is InChI=1S/C6H14O6Si/c7-1-2(8)4(10)6(12-13)5(11)3(1)9/h1-11H,13H3/t1?,2-,3+,4-,5-,6?/m0/s1.
What are the key properties of (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol?
(1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol has a molecular weight of 210.26 g/mol, XLogP of -4.53, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 173358327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).