bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane

C10H19BrO2Zn — CID 24822226

IUPACbromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane
SMILES[CH2-]CC[C@@H](C)CCC1OCCO1.[Zn+]Br
InChIInChI=1S/C10H19O2.BrH.Zn/c1-3-4-9(2)5-6-10-11-7-8-12-10;;/h9-10H,1,3-8H2,2H3;1H;/q-1;;+2/p-1/t9-;;/m1../s1
InChIKeyWXBACQVDJRKFIY-KLQYNRQASA-M
MW316.55 g/mol
LogP3.23
Rot. Bonds5

About bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane

bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane (PubChem CID 24822226) has the molecular formula C10H19BrO2Zn and a molecular weight of 316.55 g/mol. Its IUPAC name is bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane.

Molecular Properties

Compound Namebromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane
PubChem CID24822226
Molecular FormulaC10H19BrO2Zn
Molecular Weight316.55 g/mol
Exact Mass313.99
IUPAC Namebromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane
SMILES[CH2-]CC[C@@H](C)CCC1OCCO1.[Zn+]Br
InChIInChI=1S/C10H19O2.BrH.Zn/c1-3-4-9(2)5-6-10-11-7-8-12-10;;/h9-10H,1,3-8H2,2H3;1H;/q-1;;+2/p-1/t9-;;/m1../s1
InChIKeyWXBACQVDJRKFIY-KLQYNRQASA-M
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
CID 14537364
2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
CID 102458145
2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 101148003
2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane
CID 169171976
2-(3-bromopropyl)-1,3-dioxolane;2-butyl-1,3-dioxolane
CID 169430441
4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
CID 70443822
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
ethyl 2-[3-(1,3-dioxolan-2-yl)propyl]-3-oxopentanoate
CID 139793391
2-(4-chlorobutyl)-1,3-dioxolane
CID 5163683
2-(1,3-dioxolan-2-yl)ethylphosphane
CID 67730766

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane?
The IUPAC name of bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane (CID 24822226) is bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane.
What is the SMILES notation for bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane?
The canonical SMILES for bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane is [CH2-]CC[C@@H](C)CCC1OCCO1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane?
The InChIKey is WXBACQVDJRKFIY-KLQYNRQASA-M. The full InChI is InChI=1S/C10H19O2.BrH.Zn/c1-3-4-9(2)5-6-10-11-7-8-12-10;;/h9-10H,1,3-8H2,2H3;1H;/q-1;;+2/p-1/t9-;;/m1../s1.
What are the key properties of bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane?
bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane has a molecular weight of 316.55 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane is sourced from PubChem (CID 24822226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).