(3-methoxy-3-methylbutyl) carbamate

C7H15NO3 — CID 19430622

IUPAC(3-methoxy-3-methylbutyl) carbamate
SMILESCOC(C)(C)CCOC(N)=O
InChIInChI=1S/C7H15NO3/c1-7(2,10-3)4-5-11-6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeyKIZBCPBFFKAHAF-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.90
Rot. Bonds4

About (3-methoxy-3-methylbutyl) carbamate

(3-methoxy-3-methylbutyl) carbamate (PubChem CID 19430622) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) carbamate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) carbamate
PubChem CID19430622
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3-methoxy-3-methylbutyl) carbamate
SMILESCOC(C)(C)CCOC(N)=O
InChIInChI=1S/C7H15NO3/c1-7(2,10-3)4-5-11-6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeyKIZBCPBFFKAHAF-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) carbamate?
The IUPAC name of (3-methoxy-3-methylbutyl) carbamate (CID 19430622) is (3-methoxy-3-methylbutyl) carbamate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) carbamate?
The canonical SMILES for (3-methoxy-3-methylbutyl) carbamate is COC(C)(C)CCOC(N)=O.
What is the InChIKey of (3-methoxy-3-methylbutyl) carbamate?
The InChIKey is KIZBCPBFFKAHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,10-3)4-5-11-6(8)9/h4-5H2,1-3H3,(H2,8,9).
What are the key properties of (3-methoxy-3-methylbutyl) carbamate?
(3-methoxy-3-methylbutyl) carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) carbamate is sourced from PubChem (CID 19430622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).