[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid

C14H29NO4Si — CID 174057960

IUPAC[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](NC(=O)O)[C@@H](CO)C1
InChIInChI=1S/C14H29NO4Si/c1-14(2,3)20(4,5)19-11-6-7-12(15-13(17)18)10(8-11)9-16/h10-12,15-16H,6-9H2,1-5H3,(H,17,18)/t10-,11-,12+/m1/s1
InChIKeyFTDCMCCZNXFSJR-UTUOFQBUSA-N
MW303.48 g/mol
LogP2.81
Rot. Bonds4

About [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid

[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid (PubChem CID 174057960) has the molecular formula C14H29NO4Si and a molecular weight of 303.48 g/mol. Its IUPAC name is [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
PubChem CID174057960
Molecular FormulaC14H29NO4Si
Molecular Weight303.48 g/mol
Exact Mass303.19
IUPAC Name[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](NC(=O)O)[C@@H](CO)C1
InChIInChI=1S/C14H29NO4Si/c1-14(2,3)20(4,5)19-11-6-7-12(15-13(17)18)10(8-11)9-16/h10-12,15-16H,6-9H2,1-5H3,(H,17,18)/t10-,11-,12+/m1/s1
InChIKeyFTDCMCCZNXFSJR-UTUOFQBUSA-N
XLogP2.81
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 59619451
[(2S)-1-[[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylcyclohexyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamic acid
CID 68768869
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
1-[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 87828484
cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
CID 174095652
1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone
CID 59619318
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid (CID 174057960) is [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](NC(=O)O)[C@@H](CO)C1.
What is the InChIKey of [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid?
The InChIKey is FTDCMCCZNXFSJR-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H29NO4Si/c1-14(2,3)20(4,5)19-11-6-7-12(15-13(17)18)10(8-11)9-16/h10-12,15-16H,6-9H2,1-5H3,(H,17,18)/t10-,11-,12+/m1/s1.
What are the key properties of [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid?
[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid has a molecular weight of 303.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 174057960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).