carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate

C11H23NO4 — CID 175568582

IUPACcarbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)COC(=O)C(C)(C)C.NC(=O)O
InChIInChI=1S/C10H20O2.CH3NO2/c1-9(2,3)7-12-8(11)10(4,5)6;2-1(3)4/h7H2,1-6H3;2H2,(H,3,4)
InChIKeyWOUGAYMFQATNSG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds1

About carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate

carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate (PubChem CID 175568582) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecarbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
PubChem CID175568582
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namecarbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)COC(=O)C(C)(C)C.NC(=O)O
InChIInChI=1S/C10H20O2.CH3NO2/c1-9(2,3)7-12-8(11)10(4,5)6;2-1(3)4/h7H2,1-6H3;2H2,(H,3,4)
InChIKeyWOUGAYMFQATNSG-UHFFFAOYSA-N
XLogP2.24
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
The IUPAC name of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate (CID 175568582) is carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate.
What is the SMILES notation for carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
The canonical SMILES for carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate is CC(C)(C)COC(=O)C(C)(C)C.NC(=O)O.
What is the InChIKey of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
The InChIKey is WOUGAYMFQATNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.CH3NO2/c1-9(2,3)7-12-8(11)10(4,5)6;2-1(3)4/h7H2,1-6H3;2H2,(H,3,4).
What are the key properties of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate is sourced from PubChem (CID 175568582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).