cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol

C26H38O4Si — CID 68878307

IUPACcis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol
SMILESCO[C@H](CO[C@H]1CCC[C@@H](O)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O4Si/c1-26(2,3)31(24-14-7-5-8-15-24,25-16-9-6-10-17-25)30-20-23(28-4)19-29-22-13-11-12-21(27)18-22/h5-10,14-17,21-23,27H,11-13,18-20H2,1-4H3/t21-,22+,23-/m1/s1
InChIKeyKAHCLIOGUZERBY-XPWALMASSA-N
MW442.67 g/mol
LogP3.90
Rot. Bonds9

About cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol

cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol (PubChem CID 68878307) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol
PubChem CID68878307
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Namecis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol
SMILESCO[C@H](CO[C@H]1CCC[C@@H](O)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O4Si/c1-26(2,3)31(24-14-7-5-8-15-24,25-16-9-6-10-17-25)30-20-23(28-4)19-29-22-13-11-12-21(27)18-22/h5-10,14-17,21-23,27H,11-13,18-20H2,1-4H3/t21-,22+,23-/m1/s1
InChIKeyKAHCLIOGUZERBY-XPWALMASSA-N
XLogP3.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol with MolForge

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
CID 10257143
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
CID 71514828
trans-methyl (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentane-1-carboxylate
CID 140825988
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol (CID 68878307) is cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol is CO[C@H](CO[C@H]1CCC[C@@H](O)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol?
The InChIKey is KAHCLIOGUZERBY-XPWALMASSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-26(2,3)31(24-14-7-5-8-15-24,25-16-9-6-10-17-25)30-20-23(28-4)19-29-22-13-11-12-21(27)18-22/h5-10,14-17,21-23,27H,11-13,18-20H2,1-4H3/t21-,22+,23-/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol?
cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol has a molecular weight of 442.67 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol is sourced from PubChem (CID 68878307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).