propyl N-(4,4-dimethylpentyl)carbamate

C11H23NO2 — CID 88894752

IUPACpropyl N-(4,4-dimethylpentyl)carbamate
SMILESCCCOC(=O)NCCCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-9-14-10(13)12-8-6-7-11(2,3)4/h5-9H2,1-4H3,(H,12,13)
InChIKeyBQYDFZNNRCRRQQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds5

About propyl N-(4,4-dimethylpentyl)carbamate

propyl N-(4,4-dimethylpentyl)carbamate (PubChem CID 88894752) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is propyl N-(4,4-dimethylpentyl)carbamate.

Molecular Properties

Compound Namepropyl N-(4,4-dimethylpentyl)carbamate
PubChem CID88894752
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namepropyl N-(4,4-dimethylpentyl)carbamate
SMILESCCCOC(=O)NCCCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-9-14-10(13)12-8-6-7-11(2,3)4/h5-9H2,1-4H3,(H,12,13)
InChIKeyBQYDFZNNRCRRQQ-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
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 propyl N-(4,4-dimethylpentyl)carbamate?
The IUPAC name of propyl N-(4,4-dimethylpentyl)carbamate (CID 88894752) is propyl N-(4,4-dimethylpentyl)carbamate.
What is the SMILES notation for propyl N-(4,4-dimethylpentyl)carbamate?
The canonical SMILES for propyl N-(4,4-dimethylpentyl)carbamate is CCCOC(=O)NCCCC(C)(C)C.
What is the InChIKey of propyl N-(4,4-dimethylpentyl)carbamate?
The InChIKey is BQYDFZNNRCRRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9-14-10(13)12-8-6-7-11(2,3)4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of propyl N-(4,4-dimethylpentyl)carbamate?
propyl N-(4,4-dimethylpentyl)carbamate has a molecular weight of 201.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(4,4-dimethylpentyl)carbamate is sourced from PubChem (CID 88894752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).