tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate

C18H37NO3Si — CID 18917802

IUPACtert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C[Si](C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h14-16,20H,7-13H2,1-6H3,(H,19,21)
InChIKeyBYXXPYBSBNBKEZ-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.55
Rot. Bonds6

About tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate

tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate (PubChem CID 18917802) has the molecular formula C18H37NO3Si and a molecular weight of 343.58 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate
PubChem CID18917802
Molecular FormulaC18H37NO3Si
Molecular Weight343.58 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C[Si](C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h14-16,20H,7-13H2,1-6H3,(H,19,21)
InChIKeyBYXXPYBSBNBKEZ-UHFFFAOYSA-N
XLogP4.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexyl-2-hydroxybutyl]amino}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 455710
(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-butyl N-[(3R)-1-cyclohexyl-4-[[(2R)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 44294557
N-Boc-L-cyclohexylglycinol
CID 16217740
(2S,3R,4S)-2-[(tert-Butyloxycarbonyl)amino]-1-cyclohexyl-3,4-dihydroxy-6-methylheptane
CID 9974740
N-Boc-D-cyclohexylglycinol
CID 12194289
tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate
CID 14012614
tert-butyl N-[(2S,3R)-3-hydroxyoctadecan-2-yl]carbamate
CID 10221713
(R)-N-Boc-2-cyclohexylethanolamine
CID 11021104
tert-Butyl (1-cyclohexyl-2-hydroxyethyl)carbamate
CID 22037861
tert-Butyl trans-4-(3-hydroxypropyl)-cyclohexylcarbamate
CID 24720927
tert-Butyl (trans-4-(2-hydroxyethyl)cyclohexyl)carbamate
CID 24720929

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate (CID 18917802) is tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C[Si](C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate?
The InChIKey is BYXXPYBSBNBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h14-16,20H,7-13H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate?
tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate has a molecular weight of 343.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl)carbamate is sourced from PubChem (CID 18917802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).