lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene

C9H15LiO2 — CID 10034908

IUPAClithium (5E)-4-(methoxymethoxy)hepta-1,5-diene
SMILESC=[C-]CC(/C=C/C)OCOC.[Li+]
InChIInChI=1S/C9H15O2.Li/c1-4-6-9(7-5-2)11-8-10-3;/h5,7,9H,1,6,8H2,2-3H3;/q-1;+1/b7-5+;
InChIKeyRZLRDWWOELEPBW-GZOLSCHFSA-N
MW162.16 g/mol
LogP-1.07
Rot. Bonds6

About lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene

lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene (PubChem CID 10034908) has the molecular formula C9H15LiO2 and a molecular weight of 162.16 g/mol. Its IUPAC name is lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene.

Molecular Properties

Compound Namelithium (5E)-4-(methoxymethoxy)hepta-1,5-diene
PubChem CID10034908
Molecular FormulaC9H15LiO2
Molecular Weight162.16 g/mol
Exact Mass162.12
IUPAC Namelithium (5E)-4-(methoxymethoxy)hepta-1,5-diene
SMILESC=[C-]CC(/C=C/C)OCOC.[Li+]
InChIInChI=1S/C9H15O2.Li/c1-4-6-9(7-5-2)11-8-10-3;/h5,7,9H,1,6,8H2,2-3H3;/q-1;+1/b7-5+;
InChIKeyRZLRDWWOELEPBW-GZOLSCHFSA-N
XLogP-1.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-1.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-hept-4-en-3-yl] methyl carbonate
CID 11062874
ethyl [(E)-pent-3-en-2-yl] carbonate
CID 10877392
2-Ethyl-2,5-dimethoxy-2,5-dihydrofuran
CID 12937295
3-Heptene, 5,7,7-triethoxy-
CID 53438979
(6Z)-2,2-difluoro-4,8-dimethyl-5,8-dihydro-4H-1,3-dioxocine
CID 132125437
4,7-Dimethyl-4,7-dihydro-1,3-dioxepine
CID 21284693
ethyl [(Z,2S)-pent-3-en-2-yl] carbonate
CID 11116319
(2S,6S)-6-ethoxy-2-(iodomethyl)-3,6-dihydro-2H-pyran
CID 13888301
(2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 25107591
3-Ethoxy-4-hexenal diethyl acetal
CID 85858550
(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol
CID 102077684
1,1,4,4-Trimethoxycyclohexa-2,5-dien
CID 129760296

Frequently Asked Questions

What is the IUPAC name of lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene?
The IUPAC name of lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene (CID 10034908) is lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene.
What is the SMILES notation for lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene?
The canonical SMILES for lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene is C=[C-]CC(/C=C/C)OCOC.[Li+].
What is the InChIKey of lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene?
The InChIKey is RZLRDWWOELEPBW-GZOLSCHFSA-N. The full InChI is InChI=1S/C9H15O2.Li/c1-4-6-9(7-5-2)11-8-10-3;/h5,7,9H,1,6,8H2,2-3H3;/q-1;+1/b7-5+;.
What are the key properties of lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene?
lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene has a molecular weight of 162.16 g/mol, XLogP of -1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (5E)-4-(methoxymethoxy)hepta-1,5-diene is sourced from PubChem (CID 10034908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).