(4-hydroxycyclohexyl) N-tert-butylcarbamate

C11H21NO3 — CID 18447546

IUPAC(4-hydroxycyclohexyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)12-10(14)15-9-6-4-8(13)5-7-9/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyGULDRNHZIHYVPA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.81
Rot. Bonds1

About (4-hydroxycyclohexyl) N-tert-butylcarbamate

(4-hydroxycyclohexyl) N-tert-butylcarbamate (PubChem CID 18447546) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) N-tert-butylcarbamate
PubChem CID18447546
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(4-hydroxycyclohexyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)12-10(14)15-9-6-4-8(13)5-7-9/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyGULDRNHZIHYVPA-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) N-tert-butylcarbamate?
The IUPAC name of (4-hydroxycyclohexyl) N-tert-butylcarbamate (CID 18447546) is (4-hydroxycyclohexyl) N-tert-butylcarbamate.
What is the SMILES notation for (4-hydroxycyclohexyl) N-tert-butylcarbamate?
The canonical SMILES for (4-hydroxycyclohexyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCC(O)CC1.
What is the InChIKey of (4-hydroxycyclohexyl) N-tert-butylcarbamate?
The InChIKey is GULDRNHZIHYVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)12-10(14)15-9-6-4-8(13)5-7-9/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of (4-hydroxycyclohexyl) N-tert-butylcarbamate?
(4-hydroxycyclohexyl) N-tert-butylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) N-tert-butylcarbamate is sourced from PubChem (CID 18447546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).