lithium 3,3-diethoxyprop-1-ene

C7H13LiO2 — CID 11116123

IUPAClithium 3,3-diethoxyprop-1-ene
SMILESC=[C-]C(OCC)OCC.[Li+]
InChIInChI=1S/C7H13O2.Li/c1-4-7(8-5-2)9-6-3;/h7H,1,5-6H2,2-3H3;/q-1;+1
InChIKeyONIDCRYYXMYISB-UHFFFAOYSA-N
MW136.12 g/mol
LogP-1.62
Rot. Bonds5

About lithium 3,3-diethoxyprop-1-ene

lithium 3,3-diethoxyprop-1-ene (PubChem CID 11116123) has the molecular formula C7H13LiO2 and a molecular weight of 136.12 g/mol. Its IUPAC name is lithium 3,3-diethoxyprop-1-ene.

Molecular Properties

Compound Namelithium 3,3-diethoxyprop-1-ene
PubChem CID11116123
Molecular FormulaC7H13LiO2
Molecular Weight136.12 g/mol
Exact Mass136.11
IUPAC Namelithium 3,3-diethoxyprop-1-ene
SMILESC=[C-]C(OCC)OCC.[Li+]
InChIInChI=1S/C7H13O2.Li/c1-4-7(8-5-2)9-6-3;/h7H,1,5-6H2,2-3H3;/q-1;+1
InChIKeyONIDCRYYXMYISB-UHFFFAOYSA-N
XLogP-1.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 62477
CID 62477
CID 11805934
CID 11805934
CID 225379
CID 225379
CID 23263315
CID 23263315
CID 12739596
CID 12739596
CID 11194409
CID 11194409
CID 87891590
CID 87891590
CID 12835889
CID 12835889
CID 23342697
CID 23342697
CID 10329289
CID 10329289
CID 11137115
CID 11137115
CID 14947646
CID 14947646

Frequently Asked Questions

What is the IUPAC name of lithium 3,3-diethoxyprop-1-ene?
The IUPAC name of lithium 3,3-diethoxyprop-1-ene (CID 11116123) is lithium 3,3-diethoxyprop-1-ene.
What is the SMILES notation for lithium 3,3-diethoxyprop-1-ene?
The canonical SMILES for lithium 3,3-diethoxyprop-1-ene is C=[C-]C(OCC)OCC.[Li+].
What is the InChIKey of lithium 3,3-diethoxyprop-1-ene?
The InChIKey is ONIDCRYYXMYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.Li/c1-4-7(8-5-2)9-6-3;/h7H,1,5-6H2,2-3H3;/q-1;+1.
What are the key properties of lithium 3,3-diethoxyprop-1-ene?
lithium 3,3-diethoxyprop-1-ene has a molecular weight of 136.12 g/mol, XLogP of -1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,3-diethoxyprop-1-ene is sourced from PubChem (CID 11116123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).