(1-tert-butyl-4-hydroxycyclohexyl)carbamic acid

C11H21NO3 — CID 66607987

IUPAC(1-tert-butyl-4-hydroxycyclohexyl)carbamic acid
SMILESCC(C)(C)C1(NC(=O)O)CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)11(12-9(14)15)6-4-8(13)5-7-11/h8,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyRDYATFOFJDCYBM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.97
Rot. Bonds1

About (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid

(1-tert-butyl-4-hydroxycyclohexyl)carbamic acid (PubChem CID 66607987) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid.

Molecular Properties

Compound Name(1-tert-butyl-4-hydroxycyclohexyl)carbamic acid
PubChem CID66607987
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(1-tert-butyl-4-hydroxycyclohexyl)carbamic acid
SMILESCC(C)(C)C1(NC(=O)O)CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)11(12-9(14)15)6-4-8(13)5-7-11/h8,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyRDYATFOFJDCYBM-UHFFFAOYSA-N
XLogP1.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid?
The IUPAC name of (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid (CID 66607987) is (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid.
What is the SMILES notation for (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid?
The canonical SMILES for (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid is CC(C)(C)C1(NC(=O)O)CCC(O)CC1.
What is the InChIKey of (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid?
The InChIKey is RDYATFOFJDCYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)11(12-9(14)15)6-4-8(13)5-7-11/h8,12-13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid?
(1-tert-butyl-4-hydroxycyclohexyl)carbamic acid has a molecular weight of 215.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-4-hydroxycyclohexyl)carbamic acid is sourced from PubChem (CID 66607987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).