chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane

C10H11ClO2Zn — CID 134861409

IUPACchlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane
SMILESCC1(c2cc[c-]cc2)OCCO1.Cl[Zn+]
InChIInChI=1S/C10H11O2.ClH.Zn/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;;/h3-6H,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCKYSWQRCOCCFQT-UHFFFAOYSA-M
MW264.04 g/mol
LogP2.39
Rot. Bonds1

About chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane

chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane (PubChem CID 134861409) has the molecular formula C10H11ClO2Zn and a molecular weight of 264.04 g/mol. Its IUPAC name is chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Namechlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane
PubChem CID134861409
Molecular FormulaC10H11ClO2Zn
Molecular Weight264.04 g/mol
Exact Mass261.97
IUPAC Namechlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane
SMILESCC1(c2cc[c-]cc2)OCCO1.Cl[Zn+]
InChIInChI=1S/C10H11O2.ClH.Zn/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;;/h3-6H,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCKYSWQRCOCCFQT-UHFFFAOYSA-M
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.39
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

(3As,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 10986433
8-Methylene-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 23437389
(3aR,7aS)-2,2,4-trimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 11052017
3a,7a-dihydro-2,2-dimethyl-1,3-Benzodioxole
CID 11768761
2-(2-Lithiophenyl)-1,3-dioxolane
CID 19784314
(3aS,7aS)-4-fluoro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 21582803
1,3-Benzodioxole, 3a,7a-dihydro-2,2,4-trimethyl-
CID 573109
(3-(2-methyl-1,3-dioxolan-2-yl)phenyl)magnesium bromide, 0.50 M in THF
CID 13634766
Lithium 2-methyl-2-phenyl-1,3-dioxolane
CID 15629141
(3aR,7aS)-5-isopropyl-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole (racemic)
CID 124670279
(3aR,7aS)-5-(tert-butyl)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole (racemic)
CID 125461993
(3aR,7aS)-5-(dimethoxymethyl)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole (racemic)
CID 125461996

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane?
The IUPAC name of chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane (CID 134861409) is chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane is CC1(c2cc[c-]cc2)OCCO1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane?
The InChIKey is CKYSWQRCOCCFQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O2.ClH.Zn/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;;/h3-6H,7-8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane?
chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane has a molecular weight of 264.04 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);2-methyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 134861409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).