ethane;oxolan-3-yl N,N-dimethylcarbamate;propane

C12H27NO3 — CID 144509155

IUPACethane;oxolan-3-yl N,N-dimethylcarbamate;propane
SMILESCC.CCC.CN(C)C(=O)OC1CCOC1
InChIInChI=1S/C7H13NO3.C3H8.C2H6/c1-8(2)7(9)11-6-3-4-10-5-6;1-3-2;1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyAFQPKODTPUOCLN-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.92
Rot. Bonds1

About ethane;oxolan-3-yl N,N-dimethylcarbamate;propane

ethane;oxolan-3-yl N,N-dimethylcarbamate;propane (PubChem CID 144509155) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is ethane;oxolan-3-yl N,N-dimethylcarbamate;propane.

Molecular Properties

Compound Nameethane;oxolan-3-yl N,N-dimethylcarbamate;propane
PubChem CID144509155
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Nameethane;oxolan-3-yl N,N-dimethylcarbamate;propane
SMILESCC.CCC.CN(C)C(=O)OC1CCOC1
InChIInChI=1S/C7H13NO3.C3H8.C2H6/c1-8(2)7(9)11-6-3-4-10-5-6;1-3-2;1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyAFQPKODTPUOCLN-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-3-yl N-ethyl-N-methylcarbamate
CID 91397459
[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate
CID 54218239
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
cyclopropyl N,N-dimethylcarbamate
CID 91507793
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468674
ethane;3-ethoxyoxolane
CID 142523367
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
oxolan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 126699796
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266
oxolan-3-yl 3-(aminomethyl)pentanoate
CID 81073069

Frequently Asked Questions

What is the IUPAC name of ethane;oxolan-3-yl N,N-dimethylcarbamate;propane?
The IUPAC name of ethane;oxolan-3-yl N,N-dimethylcarbamate;propane (CID 144509155) is ethane;oxolan-3-yl N,N-dimethylcarbamate;propane.
What is the SMILES notation for ethane;oxolan-3-yl N,N-dimethylcarbamate;propane?
The canonical SMILES for ethane;oxolan-3-yl N,N-dimethylcarbamate;propane is CC.CCC.CN(C)C(=O)OC1CCOC1.
What is the InChIKey of ethane;oxolan-3-yl N,N-dimethylcarbamate;propane?
The InChIKey is AFQPKODTPUOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C3H8.C2H6/c1-8(2)7(9)11-6-3-4-10-5-6;1-3-2;1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;oxolan-3-yl N,N-dimethylcarbamate;propane?
ethane;oxolan-3-yl N,N-dimethylcarbamate;propane has a molecular weight of 233.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxolan-3-yl N,N-dimethylcarbamate;propane is sourced from PubChem (CID 144509155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).