(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol

C19H32O3Si — CID 10616882

IUPAC(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-18-16(20)12-9-13-17(18)21-14-15-10-7-6-8-11-15/h6-8,10-11,16-18,20H,9,12-14H2,1-5H3/t16-,17-,18-/m1/s1
InChIKeyOZHMJQHBHAWFSI-KZNAEPCWSA-N
MW336.55 g/mol
LogP4.51
Rot. Bonds5

About (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol

(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol (PubChem CID 10616882) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
PubChem CID10616882
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-18-16(20)12-9-13-17(18)21-14-15-10-7-6-8-11-15/h6-8,10-11,16-18,20H,9,12-14H2,1-5H3/t16-,17-,18-/m1/s1
InChIKeyOZHMJQHBHAWFSI-KZNAEPCWSA-N
XLogP4.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
(3R,3aS,6R,7R,7aR)-3-acetyl-7-[tert-butyl(dimethyl)silyl]oxy-6-phenylmethoxy-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 10811976
(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-phenylmethoxycyclohexan-1-ol
CID 101116684
(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylmethoxyoxan-3-ol
CID 14160927
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11036265
tert-butyl-dimethyl-[(2R,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxysilane
CID 73292656

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol?
The IUPAC name of (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol (CID 10616882) is (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)CCC[C@H]1OCc1ccccc1.
What is the InChIKey of (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol?
The InChIKey is OZHMJQHBHAWFSI-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-18-16(20)12-9-13-17(18)21-14-15-10-7-6-8-11-15/h6-8,10-11,16-18,20H,9,12-14H2,1-5H3/t16-,17-,18-/m1/s1.
What are the key properties of (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol?
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol has a molecular weight of 336.55 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 10616882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).