(1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid

C10H17NO4 — CID 91425083

IUPAC(1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid
SMILESCCOC(CC(=O)C(C)(C)C)=NC(=O)O
InChIInChI=1S/C10H17NO4/c1-5-15-8(11-9(13)14)6-7(12)10(2,3)4/h5-6H2,1-4H3,(H,13,14)
InChIKeyUMGLNBWRTAKFQG-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.10
Rot. Bonds3

About (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid

(1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid (PubChem CID 91425083) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid
PubChem CID91425083
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid
SMILESCCOC(CC(=O)C(C)(C)C)=NC(=O)O
InChIInChI=1S/C10H17NO4/c1-5-15-8(11-9(13)14)6-7(12)10(2,3)4/h5-6H2,1-4H3,(H,13,14)
InChIKeyUMGLNBWRTAKFQG-UHFFFAOYSA-N
XLogP2.10
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(4-methoxyphenoxy)carbonyl-4,4-dimethyl-3-oxopentanimidate
CID 68586745
ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate
CID 68587258
ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
CID 76750210
ethyl 3,6,6-trimethyl-5-oxohept-2-enoate
CID 71412333
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
ethyl 2,2,5,5-tetramethyl-4-oxohexanoate
CID 88882076
N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide
CID 58678963
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
ethyl N-(2,2,4,4-tetramethylpentan-3-ylidene)carbamate
CID 13482927
2-ethoxycarbonyl-2-hydroxy-5,5-dimethyl-4-oxohexanoic acid
CID 134868896
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid?
The IUPAC name of (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid (CID 91425083) is (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid.
What is the SMILES notation for (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid?
The canonical SMILES for (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid is CCOC(CC(=O)C(C)(C)C)=NC(=O)O.
What is the InChIKey of (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid?
The InChIKey is UMGLNBWRTAKFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-15-8(11-9(13)14)6-7(12)10(2,3)4/h5-6H2,1-4H3,(H,13,14).
What are the key properties of (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid?
(1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid has a molecular weight of 215.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid is sourced from PubChem (CID 91425083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).