lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane

C17H33LiO2 — CID 163204789

IUPAClithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
SMILES[CH2-]C/C=C\CCOCOCCCCCCCCCC.[Li+]
InChIInChI=1S/C17H33O2.Li/c1-3-5-7-9-10-11-12-14-16-19-17-18-15-13-8-6-4-2;/h6,8H,2-5,7,9-17H2,1H3;/q-1;+1/b8-6-;
InChIKeyVKGMPCCNWXYUPZ-PHZXCRFESA-N
MW276.39 g/mol
LogP2.29
Rot. Bonds15

About lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane

lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane (PubChem CID 163204789) has the molecular formula C17H33LiO2 and a molecular weight of 276.39 g/mol. Its IUPAC name is lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane.

Molecular Properties

Compound Namelithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
PubChem CID163204789
Molecular FormulaC17H33LiO2
Molecular Weight276.39 g/mol
Exact Mass276.26
IUPAC Namelithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
SMILES[CH2-]C/C=C\CCOCOCCCCCCCCCC.[Li+]
InChIInChI=1S/C17H33O2.Li/c1-3-5-7-9-10-11-12-14-16-19-17-18-15-13-8-6-4-2;/h6,8H,2-5,7,9-17H2,1H3;/q-1;+1/b8-6-;
InChIKeyVKGMPCCNWXYUPZ-PHZXCRFESA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.29
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-(hex-3-enoxymethoxy)heptane
CID 175218624
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
14-bromo-1-(nonoxymethoxy)tetradec-3-ene
CID 163204951
10-bromo-1-(pentoxymethoxy)dec-3-ene
CID 163204735
14-bromo-1-(decoxymethoxy)tetradec-3-ene
CID 163204993

Frequently Asked Questions

What is the IUPAC name of lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane?
The IUPAC name of lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane (CID 163204789) is lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane.
What is the SMILES notation for lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane?
The canonical SMILES for lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane is [CH2-]C/C=C\CCOCOCCCCCCCCCC.[Li+].
What is the InChIKey of lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane?
The InChIKey is VKGMPCCNWXYUPZ-PHZXCRFESA-N. The full InChI is InChI=1S/C17H33O2.Li/c1-3-5-7-9-10-11-12-14-16-19-17-18-15-13-8-6-4-2;/h6,8H,2-5,7,9-17H2,1H3;/q-1;+1/b8-6-;.
What are the key properties of lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane?
lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane has a molecular weight of 276.39 g/mol, XLogP of 2.29, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane is sourced from PubChem (CID 163204789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).