2-propan-2-yloxyethyl N,N-dimethylcarbamate

C8H17NO3 — CID 172528660

IUPAC2-propan-2-yloxyethyl N,N-dimethylcarbamate
SMILESCC(C)OCCOC(=O)N(C)C
InChIInChI=1S/C8H17NO3/c1-7(2)11-5-6-12-8(10)9(3)4/h7H,5-6H2,1-4H3
InChIKeyLJFVXXKFXBZEQK-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.11
Rot. Bonds4

About 2-propan-2-yloxyethyl N,N-dimethylcarbamate

2-propan-2-yloxyethyl N,N-dimethylcarbamate (PubChem CID 172528660) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl N,N-dimethylcarbamate
PubChem CID172528660
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-propan-2-yloxyethyl N,N-dimethylcarbamate
SMILESCC(C)OCCOC(=O)N(C)C
InChIInChI=1S/C8H17NO3/c1-7(2)11-5-6-12-8(10)9(3)4/h7H,5-6H2,1-4H3
InChIKeyLJFVXXKFXBZEQK-UHFFFAOYSA-N
XLogP1.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isopropyl dimethylcarbamate
CID 95685
Carbamic acid, N,N-bis(hydroxymethyl)-, 2-(1-methylethoxy)ethyl ester
CID 110224
propan-2-yl N,N-bis(methoxymethyl)carbamate
CID 21290384
Dimethylformamid-dipropylacetal
CID 15520778
2-(2-Methoxyethoxy)ethyl dimethylcarbamate
CID 19796217
propan-2-yl N,N-bis(2-hydroxyethoxymethyl)carbamate
CID 53667017
2-methoxyethyl N,N-bis(methoxymethyl)carbamate
CID 53965561
2-ethoxyethyl N,N-dimethylcarbamate
CID 56992569
2,3-diethoxypropyl N,N-diethylcarbamate
CID 59783301
Trimethyl(propan-2-yloxycarbonyl)azanium
CID 87127408
N,N-dimethylacetamide;1-methoxypropan-2-yl acetate
CID 87168601
[(2S)-butan-2-yl] N,N-dimethylcarbamate
CID 88302708

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl N,N-dimethylcarbamate?
The IUPAC name of 2-propan-2-yloxyethyl N,N-dimethylcarbamate (CID 172528660) is 2-propan-2-yloxyethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-propan-2-yloxyethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-propan-2-yloxyethyl N,N-dimethylcarbamate is CC(C)OCCOC(=O)N(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl N,N-dimethylcarbamate?
The InChIKey is LJFVXXKFXBZEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(2)11-5-6-12-8(10)9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-propan-2-yloxyethyl N,N-dimethylcarbamate?
2-propan-2-yloxyethyl N,N-dimethylcarbamate has a molecular weight of 175.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl N,N-dimethylcarbamate is sourced from PubChem (CID 172528660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).