4-tert-butyl-1,1-dichlorocyclohexane

C10H18Cl2 — CID 10867528

IUPAC4-tert-butyl-1,1-dichlorocyclohexane
SMILESCC(C)(C)C1CCC(Cl)(Cl)CC1
InChIInChI=1S/C10H18Cl2/c1-9(2,3)8-4-6-10(11,12)7-5-8/h8H,4-7H2,1-3H3
InChIKeyDCXRJOJENNDVRN-UHFFFAOYSA-N
MW209.16 g/mol
LogP4.40
Rot. Bonds

About 4-tert-butyl-1,1-dichlorocyclohexane

4-tert-butyl-1,1-dichlorocyclohexane (PubChem CID 10867528) has the molecular formula C10H18Cl2 and a molecular weight of 209.16 g/mol. Its IUPAC name is 4-tert-butyl-1,1-dichlorocyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1,1-dichlorocyclohexane
PubChem CID10867528
Molecular FormulaC10H18Cl2
Molecular Weight209.16 g/mol
Exact Mass208.08
IUPAC Name4-tert-butyl-1,1-dichlorocyclohexane
SMILESCC(C)(C)C1CCC(Cl)(Cl)CC1
InChIInChI=1S/C10H18Cl2/c1-9(2,3)8-4-6-10(11,12)7-5-8/h8H,4-7H2,1-3H3
InChIKeyDCXRJOJENNDVRN-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 54.40
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 4-tert-butyl-1,1-dichlorocyclohexane?
The IUPAC name of 4-tert-butyl-1,1-dichlorocyclohexane (CID 10867528) is 4-tert-butyl-1,1-dichlorocyclohexane.
What is the SMILES notation for 4-tert-butyl-1,1-dichlorocyclohexane?
The canonical SMILES for 4-tert-butyl-1,1-dichlorocyclohexane is CC(C)(C)C1CCC(Cl)(Cl)CC1.
What is the InChIKey of 4-tert-butyl-1,1-dichlorocyclohexane?
The InChIKey is DCXRJOJENNDVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2/c1-9(2,3)8-4-6-10(11,12)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1,1-dichlorocyclohexane?
4-tert-butyl-1,1-dichlorocyclohexane has a molecular weight of 209.16 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-dichlorocyclohexane is sourced from PubChem (CID 10867528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).