tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate

C12H23NO3 — CID 10513598

IUPACtert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CO)CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeySGNKPJPMWHKOJO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds2

About tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate

tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate (PubChem CID 10513598) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate
PubChem CID10513598
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CO)CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeySGNKPJPMWHKOJO-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate (CID 10513598) is tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CO)CC1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate?
The InChIKey is SGNKPJPMWHKOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate?
tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate is sourced from PubChem (CID 10513598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).