lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate

C10H15LiO — CID 23672454

IUPAClithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
SMILESCC12CCC(C=C1[O-])C2(C)C.[Li+]
InChIInChI=1S/C10H16O.Li/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h6-7,11H,4-5H2,1-3H3;/q;+1/p-1
InChIKeyHPWPAPVTYIRVSK-UHFFFAOYSA-M
MW158.17 g/mol
LogP-1.31
Rot. Bonds

About lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate

lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate (PubChem CID 23672454) has the molecular formula C10H15LiO and a molecular weight of 158.17 g/mol. Its IUPAC name is lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate.

Molecular Properties

Compound Namelithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
PubChem CID23672454
Molecular FormulaC10H15LiO
Molecular Weight158.17 g/mol
Exact Mass158.13
IUPAC Namelithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
SMILESCC12CCC(C=C1[O-])C2(C)C.[Li+]
InChIInChI=1S/C10H16O.Li/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h6-7,11H,4-5H2,1-3H3;/q;+1/p-1
InChIKeyHPWPAPVTYIRVSK-UHFFFAOYSA-M
XLogP-1.31
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
The IUPAC name of lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate (CID 23672454) is lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate.
What is the SMILES notation for lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
The canonical SMILES for lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate is CC12CCC(C=C1[O-])C2(C)C.[Li+].
What is the InChIKey of lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
The InChIKey is HPWPAPVTYIRVSK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16O.Li/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h6-7,11H,4-5H2,1-3H3;/q;+1/p-1.
What are the key properties of lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate has a molecular weight of 158.17 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate is sourced from PubChem (CID 23672454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).