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

C15H29NO3 — CID 88912168

IUPAC2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OCCOC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-11(14(2,3)4)12(15(5,6)7)16-13(17)19-10-9-18-8/h12H,1,9-10H2,2-8H3,(H,16,17)
InChIKeyVBYIGANQWWAZGM-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.38
Rot. Bonds5

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

2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (PubChem CID 88912168) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
PubChem CID88912168
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OCCOC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-11(14(2,3)4)12(15(5,6)7)16-13(17)19-10-9-18-8/h12H,1,9-10H2,2-8H3,(H,16,17)
InChIKeyVBYIGANQWWAZGM-UHFFFAOYSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The IUPAC name of 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (CID 88912168) is 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is C=C(C(NC(=O)OCCOC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The InChIKey is VBYIGANQWWAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(14(2,3)4)12(15(5,6)7)16-13(17)19-10-9-18-8/h12H,1,9-10H2,2-8H3,(H,16,17).
What are the key properties of 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is sourced from PubChem (CID 88912168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).