methyl N-(4,4,5,5-tetramethylhexyl)carbamate

C12H25NO2 — CID 20706650

IUPACmethyl N-(4,4,5,5-tetramethylhexyl)carbamate
SMILESCOC(=O)NCCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)12(4,5)8-7-9-13-10(14)15-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyFFVMNQMPAVDPGK-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds4

About methyl N-(4,4,5,5-tetramethylhexyl)carbamate

methyl N-(4,4,5,5-tetramethylhexyl)carbamate (PubChem CID 20706650) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl N-(4,4,5,5-tetramethylhexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4,4,5,5-tetramethylhexyl)carbamate
PubChem CID20706650
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl N-(4,4,5,5-tetramethylhexyl)carbamate
SMILESCOC(=O)NCCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)12(4,5)8-7-9-13-10(14)15-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyFFVMNQMPAVDPGK-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4,4,5,5-tetramethylhexyl)carbamate?
The IUPAC name of methyl N-(4,4,5,5-tetramethylhexyl)carbamate (CID 20706650) is methyl N-(4,4,5,5-tetramethylhexyl)carbamate.
What is the SMILES notation for methyl N-(4,4,5,5-tetramethylhexyl)carbamate?
The canonical SMILES for methyl N-(4,4,5,5-tetramethylhexyl)carbamate is COC(=O)NCCCC(C)(C)C(C)(C)C.
What is the InChIKey of methyl N-(4,4,5,5-tetramethylhexyl)carbamate?
The InChIKey is FFVMNQMPAVDPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)12(4,5)8-7-9-13-10(14)15-6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of methyl N-(4,4,5,5-tetramethylhexyl)carbamate?
methyl N-(4,4,5,5-tetramethylhexyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,4,5,5-tetramethylhexyl)carbamate is sourced from PubChem (CID 20706650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).