tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate

C15H29NO3 — CID 176669976

IUPACtert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C(C)(C)C)CCC(O)CC1
InChIInChI=1S/C15H29NO3/c1-13(2,3)15(9-7-11(17)8-10-15)16-12(18)19-14(4,5)6/h11,17H,7-10H2,1-6H3,(H,16,18)
InChIKeyHBIIJRVUFNNXMN-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.23
Rot. Bonds1

About tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate

tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate (PubChem CID 176669976) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate
PubChem CID176669976
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C(C)(C)C)CCC(O)CC1
InChIInChI=1S/C15H29NO3/c1-13(2,3)15(9-7-11(17)8-10-15)16-12(18)19-14(4,5)6/h11,17H,7-10H2,1-6H3,(H,16,18)
InChIKeyHBIIJRVUFNNXMN-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-tert-butyl-4-hydroxycyclohexyl)carbamic acid
CID 66607987
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[(3S)-3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 92825862
tert-butyl N-(1,2-dimethylcyclopentyl)carbamate
CID 118317015
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate
CID 129371801
cis-(1R,3R)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124634003
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
CID 144612195
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 154499622
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxycyclobutane-1-carboxylate
CID 135349998
tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
CID 67385903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate (CID 176669976) is tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate is CC(C)(C)OC(=O)NC1(C(C)(C)C)CCC(O)CC1.
What is the InChIKey of tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate?
The InChIKey is HBIIJRVUFNNXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-13(2,3)15(9-7-11(17)8-10-15)16-12(18)19-14(4,5)6/h11,17H,7-10H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate?
tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-tert-butyl-4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 176669976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).