lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate

C8H7LiO — CID 102416315

IUPAClithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
SMILESC=c1cccc/c1=C\[O-].[Li+]
InChIInChI=1S/C8H8O.Li/c1-7-4-2-3-5-8(7)6-9;/h2-6,9H,1H2;/q;+1/p-1/b8-6+;
InChIKeyRHKVMVOCYNOUAX-WVLIHFOGSA-M
MW126.08 g/mol
LogP-3.80
Rot. Bonds

About lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate

lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate (PubChem CID 102416315) has the molecular formula C8H7LiO and a molecular weight of 126.08 g/mol. Its IUPAC name is lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate.

Molecular Properties

Compound Namelithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
PubChem CID102416315
Molecular FormulaC8H7LiO
Molecular Weight126.08 g/mol
Exact Mass126.07
IUPAC Namelithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
SMILESC=c1cccc/c1=C\[O-].[Li+]
InChIInChI=1S/C8H8O.Li/c1-7-4-2-3-5-8(7)6-9;/h2-6,9H,1H2;/q;+1/p-1/b8-6+;
InChIKeyRHKVMVOCYNOUAX-WVLIHFOGSA-M
XLogP-3.80
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene
CID 159580103
(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 59733889
ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
CID 143906186
ethane;(6Z)-5-methylidene-6-propylidenecyclohexa-1,3-diene
CID 145022062
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propan-2-ol
CID 134983494
3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine
CID 89198333
(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
CID 89200532
(6Z)-5-methylidene-6-[(Z)-3-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143026657
(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene
CID 142154594
(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine
CID 170397767
4,5-dimethylidenefluoren-9-one
CID 87629629
12,13-dimethylidenecyclooctadeca-2,4,6,8,10,14,16,18-octaene-1,6-diamine
CID 101213672

Frequently Asked Questions

What is the IUPAC name of lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
The IUPAC name of lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate (CID 102416315) is lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate.
What is the SMILES notation for lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
The canonical SMILES for lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate is C=c1cccc/c1=C\[O-].[Li+].
What is the InChIKey of lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
The InChIKey is RHKVMVOCYNOUAX-WVLIHFOGSA-M. The full InChI is InChI=1S/C8H8O.Li/c1-7-4-2-3-5-8(7)6-9;/h2-6,9H,1H2;/q;+1/p-1/b8-6+;.
What are the key properties of lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate?
lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate has a molecular weight of 126.08 g/mol, XLogP of -3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate is sourced from PubChem (CID 102416315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).