[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate

C14H25NO3 — CID 140689939

IUPAC[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate
SMILESCC(=O)C1CCC(C(OC(N)=O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-9(16)10-5-7-11(8-6-10)12(14(2,3)4)18-13(15)17/h10-12H,5-8H2,1-4H3,(H2,15,17)
InChIKeyILMXUPXBZWKMIG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.89
Rot. Bonds3

About [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate

[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate (PubChem CID 140689939) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate.

Molecular Properties

Compound Name[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate
PubChem CID140689939
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate
SMILESCC(=O)C1CCC(C(OC(N)=O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-9(16)10-5-7-11(8-6-10)12(14(2,3)4)18-13(15)17/h10-12H,5-8H2,1-4H3,(H2,15,17)
InChIKeyILMXUPXBZWKMIG-UHFFFAOYSA-N
XLogP2.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate?
The IUPAC name of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate (CID 140689939) is [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate.
What is the SMILES notation for [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate?
The canonical SMILES for [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate is CC(=O)C1CCC(C(OC(N)=O)C(C)(C)C)CC1.
What is the InChIKey of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate?
The InChIKey is ILMXUPXBZWKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(16)10-5-7-11(8-6-10)12(14(2,3)4)18-13(15)17/h10-12H,5-8H2,1-4H3,(H2,15,17).
What are the key properties of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate?
[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl] carbamate is sourced from PubChem (CID 140689939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).