lithium 1-(hex-3-enoxymethoxy)heptane

C14H27LiO2 — CID 175218624

IUPAClithium 1-(hex-3-enoxymethoxy)heptane
SMILES[CH2-]CC=CCCOCOCCCCCCC.[Li+]
InChIInChI=1S/C14H27O2.Li/c1-3-5-7-9-11-13-16-14-15-12-10-8-6-4-2;/h6,8H,2-5,7,9-14H2,1H3;/q-1;+1
InChIKeyZXUAFFSPSGLOPO-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.12
Rot. Bonds12

About lithium 1-(hex-3-enoxymethoxy)heptane

lithium 1-(hex-3-enoxymethoxy)heptane (PubChem CID 175218624) has the molecular formula C14H27LiO2 and a molecular weight of 234.31 g/mol. Its IUPAC name is lithium 1-(hex-3-enoxymethoxy)heptane.

Molecular Properties

Compound Namelithium 1-(hex-3-enoxymethoxy)heptane
PubChem CID175218624
Molecular FormulaC14H27LiO2
Molecular Weight234.31 g/mol
Exact Mass234.22
IUPAC Namelithium 1-(hex-3-enoxymethoxy)heptane
SMILES[CH2-]CC=CCCOCOCCCCCCC.[Li+]
InChIInChI=1S/C14H27O2.Li/c1-3-5-7-9-11-13-16-14-15-12-10-8-6-4-2;/h6,8H,2-5,7,9-14H2,1H3;/q-1;+1
InChIKeyZXUAFFSPSGLOPO-UHFFFAOYSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
CID 163204789
magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide
CID 163204937
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
CID 163204805
magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
CID 163204941
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
10-bromo-1-(pentoxymethoxy)dec-3-ene
CID 163204735
14-bromo-1-(nonoxymethoxy)tetradec-3-ene
CID 163204951
14-bromo-1-(decoxymethoxy)tetradec-3-ene
CID 163204993

Frequently Asked Questions

What is the IUPAC name of lithium 1-(hex-3-enoxymethoxy)heptane?
The IUPAC name of lithium 1-(hex-3-enoxymethoxy)heptane (CID 175218624) is lithium 1-(hex-3-enoxymethoxy)heptane.
What is the SMILES notation for lithium 1-(hex-3-enoxymethoxy)heptane?
The canonical SMILES for lithium 1-(hex-3-enoxymethoxy)heptane is [CH2-]CC=CCCOCOCCCCCCC.[Li+].
What is the InChIKey of lithium 1-(hex-3-enoxymethoxy)heptane?
The InChIKey is ZXUAFFSPSGLOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O2.Li/c1-3-5-7-9-11-13-16-14-15-12-10-8-6-4-2;/h6,8H,2-5,7,9-14H2,1H3;/q-1;+1.
What are the key properties of lithium 1-(hex-3-enoxymethoxy)heptane?
lithium 1-(hex-3-enoxymethoxy)heptane has a molecular weight of 234.31 g/mol, XLogP of 1.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(hex-3-enoxymethoxy)heptane is sourced from PubChem (CID 175218624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).