[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid

C16H33NO4Si — CID 141208174

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCO)(NC(=O)O)CC1
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)22(4,5)21-13-7-10-16(11-8-13,9-6-12-18)17-14(19)20/h13,17-18H,6-12H2,1-5H3,(H,19,20)
InChIKeyOHBPXSQVLIEUBS-UHFFFAOYSA-N
MW331.53 g/mol
LogP3.73
Rot. Bonds6

About [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid

[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid (PubChem CID 141208174) has the molecular formula C16H33NO4Si and a molecular weight of 331.53 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
PubChem CID141208174
Molecular FormulaC16H33NO4Si
Molecular Weight331.53 g/mol
Exact Mass331.22
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCO)(NC(=O)O)CC1
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)22(4,5)21-13-7-10-16(11-8-13,9-6-12-18)17-14(19)20/h13,17-18H,6-12H2,1-5H3,(H,19,20)
InChIKeyOHBPXSQVLIEUBS-UHFFFAOYSA-N
XLogP3.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.73
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

4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
CID 140956897
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 174057960
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol
CID 10427395
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
CID 141358006
(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 66844757
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 175199551

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid (CID 141208174) is [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid is CC(C)(C)[Si](C)(C)OC1CCC(CCCO)(NC(=O)O)CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid?
The InChIKey is OHBPXSQVLIEUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4Si/c1-15(2,3)22(4,5)21-13-7-10-16(11-8-13,9-6-12-18)17-14(19)20/h13,17-18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid?
[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid has a molecular weight of 331.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 141208174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).