ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate

C14H27NO2 — CID 58363618

IUPACethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-9-17-12(16)15-11(14(6,7)8)10(2)13(3,4)5/h11H,2,9H2,1,3-8H3,(H,15,16)
InChIKeyJOIUECLEGLVUTD-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.75
Rot. Bonds3

About ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate

ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (PubChem CID 58363618) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
PubChem CID58363618
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-9-17-12(16)15-11(14(6,7)8)10(2)13(3,4)5/h11H,2,9H2,1,3-8H3,(H,15,16)
InChIKeyJOIUECLEGLVUTD-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The IUPAC name of ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (CID 58363618) is ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The canonical SMILES for ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is C=C(C(NC(=O)OCC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The InChIKey is JOIUECLEGLVUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-9-17-12(16)15-11(14(6,7)8)10(2)13(3,4)5/h11H,2,9H2,1,3-8H3,(H,15,16).
What are the key properties of ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate has a molecular weight of 241.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is sourced from PubChem (CID 58363618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).