lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride

C22H18AlLiO3 — CID 70420201

IUPAClithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride
SMILESCCO[Al]1Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1.[H-].[Li+]
InChIInChI=1S/C20H14O2.C2H5O.Al.Li.H/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-2-3;;;/h1-12,21-22H;2H2,1H3;;;/q;-1;+3;+1;-1/p-2
InChIKeyOZIJZLBRXOXIMZ-UHFFFAOYSA-L
MW364.31 g/mol
LogP2.57
Rot. Bonds2

About lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride

lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride (PubChem CID 70420201) has the molecular formula C22H18AlLiO3 and a molecular weight of 364.31 g/mol. Its IUPAC name is lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride.

Molecular Properties

Compound Namelithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride
PubChem CID70420201
Molecular FormulaC22H18AlLiO3
Molecular Weight364.31 g/mol
Exact Mass364.12
IUPAC Namelithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride
SMILESCCO[Al]1Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1.[H-].[Li+]
InChIInChI=1S/C20H14O2.C2H5O.Al.Li.H/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-2-3;;;/h1-12,21-22H;2H2,1H3;;;/q;-1;+3;+1;-1/p-2
InChIKeyOZIJZLBRXOXIMZ-UHFFFAOYSA-L
XLogP2.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride?
The IUPAC name of lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride (CID 70420201) is lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride.
What is the SMILES notation for lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride?
The canonical SMILES for lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride is CCO[Al]1Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1.[H-].[Li+].
What is the InChIKey of lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride?
The InChIKey is OZIJZLBRXOXIMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H14O2.C2H5O.Al.Li.H/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-2-3;;;/h1-12,21-22H;2H2,1H3;;;/q;-1;+3;+1;-1/p-2.
What are the key properties of lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride?
lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride has a molecular weight of 364.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;13-ethoxy-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;hydride is sourced from PubChem (CID 70420201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).