1-(2-methylpropoxy)ethyl carbamate

C7H15NO3 — CID 21498365

IUPAC1-(2-methylpropoxy)ethyl carbamate
SMILESCC(C)COC(C)OC(N)=O
InChIInChI=1S/C7H15NO3/c1-5(2)4-10-6(3)11-7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)
InChIKeyJNCDGSZQDVPHAD-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.10
Rot. Bonds4

About 1-(2-methylpropoxy)ethyl carbamate

1-(2-methylpropoxy)ethyl carbamate (PubChem CID 21498365) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(2-methylpropoxy)ethyl carbamate.

Molecular Properties

Compound Name1-(2-methylpropoxy)ethyl carbamate
PubChem CID21498365
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-(2-methylpropoxy)ethyl carbamate
SMILESCC(C)COC(C)OC(N)=O
InChIInChI=1S/C7H15NO3/c1-5(2)4-10-6(3)11-7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)
InChIKeyJNCDGSZQDVPHAD-UHFFFAOYSA-N
XLogP1.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
1-(2-methylpropoxy)ethyl 2,2,2-trichloroacetate
CID 71340882
1-(2-methylpropoxy)ethyl 2-hydroxyprop-2-enoate
CID 139758842
1-[(2R)-2-acetamido-3-sulfanylpropoxy]ethyl carbamate
CID 129028497
1-[1-(dimethylamino)ethoxy]ethyl carbamate
CID 22641132
3-(2-methylpropoxy)butanamide
CID 137379799
azane;propan-2-yl carbamate
CID 172769477
diethyl 2,3-bis(2-methylpropoxy)butanedioate
CID 139989441
1-[2,3-bis(1-propan-2-yloxycarbonyloxypropan-2-yloxy)propoxy]ethyl propan-2-yl carbonate
CID 59502823
[2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate
CID 20659309
1-tert-butylperoxyethyl carbamate
CID 175429288
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)ethyl carbamate?
The IUPAC name of 1-(2-methylpropoxy)ethyl carbamate (CID 21498365) is 1-(2-methylpropoxy)ethyl carbamate.
What is the SMILES notation for 1-(2-methylpropoxy)ethyl carbamate?
The canonical SMILES for 1-(2-methylpropoxy)ethyl carbamate is CC(C)COC(C)OC(N)=O.
What is the InChIKey of 1-(2-methylpropoxy)ethyl carbamate?
The InChIKey is JNCDGSZQDVPHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(2)4-10-6(3)11-7(8)9/h5-6H,4H2,1-3H3,(H2,8,9).
What are the key properties of 1-(2-methylpropoxy)ethyl carbamate?
1-(2-methylpropoxy)ethyl carbamate has a molecular weight of 161.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)ethyl carbamate is sourced from PubChem (CID 21498365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).