2-chloro-2,3-dimethylhexane;cyclohexane

C14H29Cl — CID 175373008

IUPAC2-chloro-2,3-dimethylhexane;cyclohexane
SMILESC1CCCCC1.CCCC(C)C(C)(C)Cl
InChIInChI=1S/C8H17Cl.C6H12/c1-5-6-7(2)8(3,4)9;1-2-4-6-5-3-1/h7H,5-6H2,1-4H3;1-6H2
InChIKeyXXFGFUXVLPNYEE-UHFFFAOYSA-N
MW232.84 g/mol
LogP5.78
Rot. Bonds3

About 2-chloro-2,3-dimethylhexane;cyclohexane

2-chloro-2,3-dimethylhexane;cyclohexane (PubChem CID 175373008) has the molecular formula C14H29Cl and a molecular weight of 232.84 g/mol. Its IUPAC name is 2-chloro-2,3-dimethylhexane;cyclohexane.

Molecular Properties

Compound Name2-chloro-2,3-dimethylhexane;cyclohexane
PubChem CID175373008
Molecular FormulaC14H29Cl
Molecular Weight232.84 g/mol
Exact Mass232.20
IUPAC Name2-chloro-2,3-dimethylhexane;cyclohexane
SMILESC1CCCCC1.CCCC(C)C(C)(C)Cl
InChIInChI=1S/C8H17Cl.C6H12/c1-5-6-7(2)8(3,4)9;1-2-4-6-5-3-1/h7H,5-6H2,1-4H3;1-6H2
InChIKeyXXFGFUXVLPNYEE-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.84
LogP ≤ 55.78
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-chloro-2,3-dimethylhexane;cyclohexane?
The IUPAC name of 2-chloro-2,3-dimethylhexane;cyclohexane (CID 175373008) is 2-chloro-2,3-dimethylhexane;cyclohexane.
What is the SMILES notation for 2-chloro-2,3-dimethylhexane;cyclohexane?
The canonical SMILES for 2-chloro-2,3-dimethylhexane;cyclohexane is C1CCCCC1.CCCC(C)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2,3-dimethylhexane;cyclohexane?
The InChIKey is XXFGFUXVLPNYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl.C6H12/c1-5-6-7(2)8(3,4)9;1-2-4-6-5-3-1/h7H,5-6H2,1-4H3;1-6H2.
What are the key properties of 2-chloro-2,3-dimethylhexane;cyclohexane?
2-chloro-2,3-dimethylhexane;cyclohexane has a molecular weight of 232.84 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3-dimethylhexane;cyclohexane is sourced from PubChem (CID 175373008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).