bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane

C15H25BrO2Zn — CID 135075875

IUPACbromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane
SMILES[H]/[C-]=C\C=C\C(CCCCC)OC1CCCCO1.[Zn+]Br
InChIInChI=1S/C15H25O2.BrH.Zn/c1-3-5-7-11-14(10-6-4-2)17-15-12-8-9-13-16-15;;/h2,4,6,10,14-15H,3,5,7-9,11-13H2,1H3;1H;/q-1;;+2/p-1/b10-6+;;
InChIKeyHOEGMGJTBLQJLZ-DOLBFOAYSA-M
MW382.66 g/mol
LogP4.87
Rot. Bonds8

About bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane

bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane (PubChem CID 135075875) has the molecular formula C15H25BrO2Zn and a molecular weight of 382.66 g/mol. Its IUPAC name is bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane.

Molecular Properties

Compound Namebromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane
PubChem CID135075875
Molecular FormulaC15H25BrO2Zn
Molecular Weight382.66 g/mol
Exact Mass380.03
IUPAC Namebromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane
SMILES[H]/[C-]=C\C=C\C(CCCCC)OC1CCCCO1.[Zn+]Br
InChIInChI=1S/C15H25O2.BrH.Zn/c1-3-5-7-11-14(10-6-4-2)17-15-12-8-9-13-16-15;;/h2,4,6,10,14-15H,3,5,7-9,11-13H2,1H3;1H;/q-1;;+2/p-1/b10-6+;;
InChIKeyHOEGMGJTBLQJLZ-DOLBFOAYSA-M
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.66
LogP ≤ 54.87
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Oct-1-en-3-yloxyoxane
CID 10727282
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
bromozinc(1+);(3E)-5-(methoxymethoxy)deca-1,3-diene
CID 135085643
(2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane
CID 54037773
Heptadec-2,4-dien-1-ol tetrahydropyranyl ether
CID 56980102
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane
CID 67738093
2-Hex-3-en-2-yloxyoxane
CID 76762446
2-[(Z,2R)-hex-3-en-2-yl]oxyoxane
CID 118517766
2-[(2R)-hex-3-en-2-yl]oxyoxane
CID 123368060
2-[(2S)-hex-3-en-2-yl]oxyoxane
CID 123965949
(4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane
CID 143245620

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane?
The IUPAC name of bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane (CID 135075875) is bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane.
What is the SMILES notation for bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane?
The canonical SMILES for bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane is [H]/[C-]=C\C=C\C(CCCCC)OC1CCCCO1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane?
The InChIKey is HOEGMGJTBLQJLZ-DOLBFOAYSA-M. The full InChI is InChI=1S/C15H25O2.BrH.Zn/c1-3-5-7-11-14(10-6-4-2)17-15-12-8-9-13-16-15;;/h2,4,6,10,14-15H,3,5,7-9,11-13H2,1H3;1H;/q-1;;+2/p-1/b10-6+;;.
What are the key properties of bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane?
bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane has a molecular weight of 382.66 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane is sourced from PubChem (CID 135075875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).