bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene

C12H21BrO2Zn — CID 135085643

IUPACbromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene
SMILES[H]/[C-]=C\C=C\C(CCCCC)OCOC.[Zn+]Br
InChIInChI=1S/C12H21O2.BrH.Zn/c1-4-6-8-10-12(9-7-5-2)14-11-13-3;;/h2,5,7,9,12H,4,6,8,10-11H2,1,3H3;1H;/q-1;;+2/p-1/b9-7+;;
InChIKeyNXYJPPYUDFAXSR-OJYIHNBOSA-M
MW342.59 g/mol
LogP3.94
Rot. Bonds9

About bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene

bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene (PubChem CID 135085643) has the molecular formula C12H21BrO2Zn and a molecular weight of 342.59 g/mol. Its IUPAC name is bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene.

Molecular Properties

Compound Namebromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene
PubChem CID135085643
Molecular FormulaC12H21BrO2Zn
Molecular Weight342.59 g/mol
Exact Mass340.00
IUPAC Namebromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene
SMILES[H]/[C-]=C\C=C\C(CCCCC)OCOC.[Zn+]Br
InChIInChI=1S/C12H21O2.BrH.Zn/c1-4-6-8-10-12(9-7-5-2)14-11-13-3;;/h2,5,7,9,12H,4,6,8,10-11H2,1,3H3;1H;/q-1;;+2/p-1/b9-7+;;
InChIKeyNXYJPPYUDFAXSR-OJYIHNBOSA-M
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.59
LogP ≤ 53.94
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-8-(methoxymethoxy)tridec-6-ene
CID 13267433
bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane
CID 135075875
4-Pentyl-4,7-dihydro-1,3-dioxepine
CID 135085663
3-Methoxymethoxy-1-methylcyclohexene
CID 542464
4-Methoxymethoxy-oct-2-ene
CID 5364240
5-(Methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
CID 19428653
(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
CID 67738092
1-[[(Z)-hept-2-enoxy]methoxy]heptane
CID 156639865
1-(Propan-2-yloxymethoxymethyl)cyclohexa-1,3-diene
CID 177326661
1-Ethenyl-3-(methoxymethoxy)cyclohexene
CID 10654678
1-Ethenyl-6-(methoxymethoxy)cyclohexene
CID 10773427
Cyclohept-2-en-1-yl ethyl carbonate
CID 15310932

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene?
The IUPAC name of bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene (CID 135085643) is bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene.
What is the SMILES notation for bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene?
The canonical SMILES for bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene is [H]/[C-]=C\C=C\C(CCCCC)OCOC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene?
The InChIKey is NXYJPPYUDFAXSR-OJYIHNBOSA-M. The full InChI is InChI=1S/C12H21O2.BrH.Zn/c1-4-6-8-10-12(9-7-5-2)14-11-13-3;;/h2,5,7,9,12H,4,6,8,10-11H2,1,3H3;1H;/q-1;;+2/p-1/b9-7+;;.
What are the key properties of bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene?
bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene has a molecular weight of 342.59 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene is sourced from PubChem (CID 135085643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).