lithium 3-butylcyclohexen-1-olate

C10H17LiO — CID 23713748

IUPAClithium 3-butylcyclohexen-1-olate
SMILESCCCCC1C=C([O-])CCC1.[Li+]
InChIInChI=1S/C10H18O.Li/c1-2-3-5-9-6-4-7-10(11)8-9;/h8-9,11H,2-7H2,1H3;/q;+1/p-1
InChIKeyOKRDOHJWCLVRHD-UHFFFAOYSA-M
MW160.19 g/mol
LogP-0.78
Rot. Bonds3

About lithium 3-butylcyclohexen-1-olate

lithium 3-butylcyclohexen-1-olate (PubChem CID 23713748) has the molecular formula C10H17LiO and a molecular weight of 160.19 g/mol. Its IUPAC name is lithium 3-butylcyclohexen-1-olate.

Molecular Properties

Compound Namelithium 3-butylcyclohexen-1-olate
PubChem CID23713748
Molecular FormulaC10H17LiO
Molecular Weight160.19 g/mol
Exact Mass160.14
IUPAC Namelithium 3-butylcyclohexen-1-olate
SMILESCCCCC1C=C([O-])CCC1.[Li+]
InChIInChI=1S/C10H18O.Li/c1-2-3-5-9-6-4-7-10(11)8-9;/h8-9,11H,2-7H2,1H3;/q;+1/p-1
InChIKeyOKRDOHJWCLVRHD-UHFFFAOYSA-M
XLogP-0.78
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 3-butylcyclohexen-1-olate?
The IUPAC name of lithium 3-butylcyclohexen-1-olate (CID 23713748) is lithium 3-butylcyclohexen-1-olate.
What is the SMILES notation for lithium 3-butylcyclohexen-1-olate?
The canonical SMILES for lithium 3-butylcyclohexen-1-olate is CCCCC1C=C([O-])CCC1.[Li+].
What is the InChIKey of lithium 3-butylcyclohexen-1-olate?
The InChIKey is OKRDOHJWCLVRHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O.Li/c1-2-3-5-9-6-4-7-10(11)8-9;/h8-9,11H,2-7H2,1H3;/q;+1/p-1.
What are the key properties of lithium 3-butylcyclohexen-1-olate?
lithium 3-butylcyclohexen-1-olate has a molecular weight of 160.19 g/mol, XLogP of -0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-butylcyclohexen-1-olate is sourced from PubChem (CID 23713748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).