lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide

C14H18LiNO2 — CID 10263630

IUPAClithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide
SMILESC/C=C/C(OC(=O)[N-]c1ccccc1)C(C)C.[Li+]
InChIInChI=1S/C14H19NO2.Li/c1-4-8-13(11(2)3)17-14(16)15-12-9-6-5-7-10-12;/h4-11,13H,1-3H3,(H,15,16);/q;+1/p-1/b8-4+;
InChIKeyXNWPJASNIGAGDU-ZFXMFRGYSA-M
MW239.24 g/mol
LogP1.43
Rot. Bonds4

About lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide

lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide (PubChem CID 10263630) has the molecular formula C14H18LiNO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide.

Molecular Properties

Compound Namelithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide
PubChem CID10263630
Molecular FormulaC14H18LiNO2
Molecular Weight239.24 g/mol
Exact Mass239.15
IUPAC Namelithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide
SMILESC/C=C/C(OC(=O)[N-]c1ccccc1)C(C)C.[Li+]
InChIInChI=1S/C14H19NO2.Li/c1-4-8-13(11(2)3)17-14(16)15-12-9-6-5-7-10-12;/h4-11,13H,1-3H3,(H,15,16);/q;+1/p-1/b8-4+;
InChIKeyXNWPJASNIGAGDU-ZFXMFRGYSA-M
XLogP1.43
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide?
The IUPAC name of lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide (CID 10263630) is lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide.
What is the SMILES notation for lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide?
The canonical SMILES for lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide is C/C=C/C(OC(=O)[N-]c1ccccc1)C(C)C.[Li+].
What is the InChIKey of lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide?
The InChIKey is XNWPJASNIGAGDU-ZFXMFRGYSA-M. The full InChI is InChI=1S/C14H19NO2.Li/c1-4-8-13(11(2)3)17-14(16)15-12-9-6-5-7-10-12;/h4-11,13H,1-3H3,(H,15,16);/q;+1/p-1/b8-4+;.
What are the key properties of lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide?
lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide has a molecular weight of 239.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide is sourced from PubChem (CID 10263630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).