tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid

C12H23NO3 — CID 57369877

IUPACtert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C)CCC(O)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)13(10(15)16)12(4)7-5-9(14)6-8-12/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZJAJWKOYZDYHLQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.46
Rot. Bonds1

About tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid

tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid (PubChem CID 57369877) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid
PubChem CID57369877
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C)CCC(O)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)13(10(15)16)12(4)7-5-9(14)6-8-12/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZJAJWKOYZDYHLQ-UHFFFAOYSA-N
XLogP2.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid?
The IUPAC name of tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid (CID 57369877) is tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid.
What is the SMILES notation for tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid?
The canonical SMILES for tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid is CC(C)(C)N(C(=O)O)C1(C)CCC(O)CC1.
What is the InChIKey of tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid?
The InChIKey is ZJAJWKOYZDYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)13(10(15)16)12(4)7-5-9(14)6-8-12/h9,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid?
tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid has a molecular weight of 229.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-hydroxy-1-methylcyclohexyl)carbamic acid is sourced from PubChem (CID 57369877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).