lithium hept-2-en-2-olate

C7H13LiO — CID 134859584

IUPAClithium hept-2-en-2-olate
SMILESCCCCC=C(C)[O-].[Li+]
InChIInChI=1S/C7H14O.Li/c1-3-4-5-6-7(2)8;/h6,8H,3-5H2,1-2H3;/q;+1/p-1
InChIKeyBRRAQEKXYAKFFY-UHFFFAOYSA-M
MW120.12 g/mol
LogP-1.56
Rot. Bonds3

About lithium hept-2-en-2-olate

lithium hept-2-en-2-olate (PubChem CID 134859584) has the molecular formula C7H13LiO and a molecular weight of 120.12 g/mol. Its IUPAC name is lithium hept-2-en-2-olate.

Molecular Properties

Compound Namelithium hept-2-en-2-olate
PubChem CID134859584
Molecular FormulaC7H13LiO
Molecular Weight120.12 g/mol
Exact Mass120.11
IUPAC Namelithium hept-2-en-2-olate
SMILESCCCCC=C(C)[O-].[Li+]
InChIInChI=1S/C7H14O.Li/c1-3-4-5-6-7(2)8;/h6,8H,3-5H2,1-2H3;/q;+1/p-1
InChIKeyBRRAQEKXYAKFFY-UHFFFAOYSA-M
XLogP-1.56
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze lithium hept-2-en-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyldeca-3,5-diene
CID 76540100
(Z)-N-methylhept-2-en-2-amine
CID 90448408
(Z)-2-methoxyhept-2-ene
CID 21160203
calcium bis((Z)-2-butylhept-2-enoate)
CID 146310962
4-methylnona-2,4-diene
CID 123785331
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
lithium (Z)-non-4-en-5-olate
CID 23684731
5-butyldec-5-ene
CID 15367252
ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene
CID 176571017
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(E)-3-methylnon-3-ene
CID 5364647

Frequently Asked Questions

What is the IUPAC name of lithium hept-2-en-2-olate?
The IUPAC name of lithium hept-2-en-2-olate (CID 134859584) is lithium hept-2-en-2-olate.
What is the SMILES notation for lithium hept-2-en-2-olate?
The canonical SMILES for lithium hept-2-en-2-olate is CCCCC=C(C)[O-].[Li+].
What is the InChIKey of lithium hept-2-en-2-olate?
The InChIKey is BRRAQEKXYAKFFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O.Li/c1-3-4-5-6-7(2)8;/h6,8H,3-5H2,1-2H3;/q;+1/p-1.
What are the key properties of lithium hept-2-en-2-olate?
lithium hept-2-en-2-olate has a molecular weight of 120.12 g/mol, XLogP of -1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hept-2-en-2-olate is sourced from PubChem (CID 134859584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).