2,6-dichloro-2,3,3-trimethylheptane

C10H20Cl2 — CID 89224094

IUPAC2,6-dichloro-2,3,3-trimethylheptane
SMILESCC(Cl)CCC(C)(C)C(C)(C)Cl
InChIInChI=1S/C10H20Cl2/c1-8(11)6-7-9(2,3)10(4,5)12/h8H,6-7H2,1-5H3
InChIKeyQQRLCVOIGFKOTG-UHFFFAOYSA-N
MW211.18 g/mol
LogP4.44
Rot. Bonds4

About 2,6-dichloro-2,3,3-trimethylheptane

2,6-dichloro-2,3,3-trimethylheptane (PubChem CID 89224094) has the molecular formula C10H20Cl2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,6-dichloro-2,3,3-trimethylheptane.

Molecular Properties

Compound Name2,6-dichloro-2,3,3-trimethylheptane
PubChem CID89224094
Molecular FormulaC10H20Cl2
Molecular Weight211.18 g/mol
Exact Mass210.09
IUPAC Name2,6-dichloro-2,3,3-trimethylheptane
SMILESCC(Cl)CCC(C)(C)C(C)(C)Cl
InChIInChI=1S/C10H20Cl2/c1-8(11)6-7-9(2,3)10(4,5)12/h8H,6-7H2,1-5H3
InChIKeyQQRLCVOIGFKOTG-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-2,3,3-trimethylheptane?
The IUPAC name of 2,6-dichloro-2,3,3-trimethylheptane (CID 89224094) is 2,6-dichloro-2,3,3-trimethylheptane.
What is the SMILES notation for 2,6-dichloro-2,3,3-trimethylheptane?
The canonical SMILES for 2,6-dichloro-2,3,3-trimethylheptane is CC(Cl)CCC(C)(C)C(C)(C)Cl.
What is the InChIKey of 2,6-dichloro-2,3,3-trimethylheptane?
The InChIKey is QQRLCVOIGFKOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2/c1-8(11)6-7-9(2,3)10(4,5)12/h8H,6-7H2,1-5H3.
What are the key properties of 2,6-dichloro-2,3,3-trimethylheptane?
2,6-dichloro-2,3,3-trimethylheptane has a molecular weight of 211.18 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-2,3,3-trimethylheptane is sourced from PubChem (CID 89224094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).