dichlorozinc;2,2-dimethyloctane

C10H22Cl2Zn — CID 174281549

IUPACdichlorozinc;2,2-dimethyloctane
SMILESCCCCCCC(C)(C)C.Cl[Zn]Cl
InChIInChI=1S/C10H22.2ClH.Zn/c1-5-6-7-8-9-10(2,3)4;;;/h5-9H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyYXGBTJONLHUCLD-UHFFFAOYSA-L
MW278.58 g/mol
LogP5.38
Rot. Bonds4

About dichlorozinc;2,2-dimethyloctane

dichlorozinc;2,2-dimethyloctane (PubChem CID 174281549) has the molecular formula C10H22Cl2Zn and a molecular weight of 278.58 g/mol. Its IUPAC name is dichlorozinc;2,2-dimethyloctane.

Molecular Properties

Compound Namedichlorozinc;2,2-dimethyloctane
PubChem CID174281549
Molecular FormulaC10H22Cl2Zn
Molecular Weight278.58 g/mol
Exact Mass276.04
IUPAC Namedichlorozinc;2,2-dimethyloctane
SMILESCCCCCCC(C)(C)C.Cl[Zn]Cl
InChIInChI=1S/C10H22.2ClH.Zn/c1-5-6-7-8-9-10(2,3)4;;;/h5-9H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyYXGBTJONLHUCLD-UHFFFAOYSA-L
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,2-dimethylnonadecane;oxosilane
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2,2-dimethylhexane
CID 169424592
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
2,2,22,22-tetramethyl-12-nonyltricosane
CID 150859167
azane;2,2-dimethylhexane
CID 161105081
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;2,2-dimethyloctane?
The IUPAC name of dichlorozinc;2,2-dimethyloctane (CID 174281549) is dichlorozinc;2,2-dimethyloctane.
What is the SMILES notation for dichlorozinc;2,2-dimethyloctane?
The canonical SMILES for dichlorozinc;2,2-dimethyloctane is CCCCCCC(C)(C)C.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;2,2-dimethyloctane?
The InChIKey is YXGBTJONLHUCLD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H22.2ClH.Zn/c1-5-6-7-8-9-10(2,3)4;;;/h5-9H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;2,2-dimethyloctane?
dichlorozinc;2,2-dimethyloctane has a molecular weight of 278.58 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;2,2-dimethyloctane is sourced from PubChem (CID 174281549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).