lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate

C15H22LiNO4 — CID 25258915

IUPAClithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate
SMILESCOCOc1[c-]c(OC(=O)N(C(C)C)C(C)C)ccc1.[Li+]
InChIInChI=1S/C15H22NO4.Li/c1-11(2)16(12(3)4)15(17)20-14-8-6-7-13(9-14)19-10-18-5;/h6-8,11-12H,10H2,1-5H3;/q-1;+1
InChIKeyVGPYYZHVOPMVCR-UHFFFAOYSA-N
MW287.29 g/mol
LogP0.09
Rot. Bonds6

About lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate

lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 25258915) has the molecular formula C15H22LiNO4 and a molecular weight of 287.29 g/mol. Its IUPAC name is lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namelithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate
PubChem CID25258915
Molecular FormulaC15H22LiNO4
Molecular Weight287.29 g/mol
Exact Mass287.17
IUPAC Namelithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate
SMILESCOCOc1[c-]c(OC(=O)N(C(C)C)C(C)C)ccc1.[Li+]
InChIInChI=1S/C15H22NO4.Li/c1-11(2)16(12(3)4)15(17)20-14-8-6-7-13(9-14)19-10-18-5;/h6-8,11-12H,10H2,1-5H3;/q-1;+1
InChIKeyVGPYYZHVOPMVCR-UHFFFAOYSA-N
XLogP0.09
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate (CID 25258915) is lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate is COCOc1[c-]c(OC(=O)N(C(C)C)C(C)C)ccc1.[Li+].
What is the InChIKey of lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is VGPYYZHVOPMVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO4.Li/c1-11(2)16(12(3)4)15(17)20-14-8-6-7-13(9-14)19-10-18-5;/h6-8,11-12H,10H2,1-5H3;/q-1;+1.
What are the key properties of lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate?
lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 287.29 g/mol, XLogP of 0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [3-(methoxymethoxy)benzene-2-id-1-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 25258915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).