butyl 2-methanidyloxyacetate;rutherfordium

C7H13O3Rf- — CID 155657474

IUPACbutyl 2-methanidyloxyacetate;rutherfordium
SMILES[CH2-]OCC(=O)OCCCC.[Rf]
InChIInChI=1S/C7H13O3.Rf/c1-3-4-5-10-7(8)6-9-2;/h2-6H2,1H3;/q-1;
InChIKeyCDFGRLOGOKTNCY-UHFFFAOYSA-N
MW412.18 g/mol
LogP1.14
Rot. Bonds5

About butyl 2-methanidyloxyacetate;rutherfordium

butyl 2-methanidyloxyacetate;rutherfordium (PubChem CID 155657474) has the molecular formula C7H13O3Rf- and a molecular weight of 412.18 g/mol. Its IUPAC name is butyl 2-methanidyloxyacetate;rutherfordium.

Molecular Properties

Compound Namebutyl 2-methanidyloxyacetate;rutherfordium
PubChem CID155657474
Molecular FormulaC7H13O3Rf-
Molecular Weight412.18 g/mol
Exact Mass412.21
IUPAC Namebutyl 2-methanidyloxyacetate;rutherfordium
SMILES[CH2-]OCC(=O)OCCCC.[Rf]
InChIInChI=1S/C7H13O3.Rf/c1-3-4-5-10-7(8)6-9-2;/h2-6H2,1H3;/q-1;
InChIKeyCDFGRLOGOKTNCY-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
dibutyl hex-3-ynedioate
CID 87458228
3-butoxy-3-oxopropanoic acid
CID 21201188
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
dibutyl heptadecanedioate
CID 87117348
1-O-butyl 4-O-heptyl butanedioate
CID 91701655
butyl dodecanoate;stannane
CID 173127459
pentyl 2-phosphanylacetate
CID 87942659

Frequently Asked Questions

What is the IUPAC name of butyl 2-methanidyloxyacetate;rutherfordium?
The IUPAC name of butyl 2-methanidyloxyacetate;rutherfordium (CID 155657474) is butyl 2-methanidyloxyacetate;rutherfordium.
What is the SMILES notation for butyl 2-methanidyloxyacetate;rutherfordium?
The canonical SMILES for butyl 2-methanidyloxyacetate;rutherfordium is [CH2-]OCC(=O)OCCCC.[Rf].
What is the InChIKey of butyl 2-methanidyloxyacetate;rutherfordium?
The InChIKey is CDFGRLOGOKTNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O3.Rf/c1-3-4-5-10-7(8)6-9-2;/h2-6H2,1H3;/q-1;.
What are the key properties of butyl 2-methanidyloxyacetate;rutherfordium?
butyl 2-methanidyloxyacetate;rutherfordium has a molecular weight of 412.18 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methanidyloxyacetate;rutherfordium is sourced from PubChem (CID 155657474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).