dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane

C12H18Li2O — CID 12506200

IUPACdilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane
SMILES[H]/[C-]=C\C(/C=[C-]\[H])(OC)C1CCCCC1.[Li+].[Li+]
InChIInChI=1S/C12H18O.2Li/c1-4-12(5-2,13-3)11-9-7-6-8-10-11;;/h1-2,4-5,11H,6-10H2,3H3;;/q-2;2*+1
InChIKeySYINMRLPWFACHY-UHFFFAOYSA-N
MW192.16 g/mol
LogP-3.06
Rot. Bonds4

About dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane

dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane (PubChem CID 12506200) has the molecular formula C12H18Li2O and a molecular weight of 192.16 g/mol. Its IUPAC name is dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane.

Molecular Properties

Compound Namedilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane
PubChem CID12506200
Molecular FormulaC12H18Li2O
Molecular Weight192.16 g/mol
Exact Mass192.17
IUPAC Namedilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane
SMILES[H]/[C-]=C\C(/C=[C-]\[H])(OC)C1CCCCC1.[Li+].[Li+]
InChIInChI=1S/C12H18O.2Li/c1-4-12(5-2,13-3)11-9-7-6-8-10-11;;/h1-2,4-5,11H,6-10H2,3H3;;/q-2;2*+1
InChIKeySYINMRLPWFACHY-UHFFFAOYSA-N
XLogP-3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-Ethenyl-1-methoxycyclohexane
CID 12552365
1,1-Dibutyl-4-cyclohexyl-4-methoxystannine
CID 12506193
1-Tert-butyl-4-cyclohexyl-4-methoxyphosphinine
CID 12722716
4-cyclohexyl-4-methoxy-1H-phosphinine
CID 134892330
3-Prop-2-enoxypenta-1,4-dien-3-ylcyclohexane
CID 15361424
1-Ethenyl-1-methoxycyclododecane
CID 85795117
3-Methoxy-3-methyldodec-1-ene
CID 102028733
2-[(3R)-hept-1-en-3-yl]oxypropan-2-ylcyclohexane
CID 117755258
3-Methoxy-3,7-dimethyldec-1-ene
CID 118474483
3-Methoxy-3,7-dimethylnon-1-ene
CID 118474485
3-Methoxy-3,6,7-trimethyloct-1-ene
CID 118474488
6-Ethenyl-2,3,6-trimethyl-2-propyloxane
CID 123947244

Frequently Asked Questions

What is the IUPAC name of dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane?
The IUPAC name of dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane (CID 12506200) is dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane.
What is the SMILES notation for dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane?
The canonical SMILES for dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane is [H]/[C-]=C\C(/C=[C-]\[H])(OC)C1CCCCC1.[Li+].[Li+].
What is the InChIKey of dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane?
The InChIKey is SYINMRLPWFACHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.2Li/c1-4-12(5-2,13-3)11-9-7-6-8-10-11;;/h1-2,4-5,11H,6-10H2,3H3;;/q-2;2*+1.
What are the key properties of dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane?
dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane has a molecular weight of 192.16 g/mol, XLogP of -3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane is sourced from PubChem (CID 12506200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).