6-chloro-2,6,7,7-tetramethyloct-2-ene

C12H23Cl — CID 13113735

IUPAC6-chloro-2,6,7,7-tetramethyloct-2-ene
SMILESCC(C)=CCCC(C)(Cl)C(C)(C)C
InChIInChI=1S/C12H23Cl/c1-10(2)8-7-9-12(6,13)11(3,4)5/h8H,7,9H2,1-6H3
InChIKeyQHYXXHSATOOYAW-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.78
Rot. Bonds3

About 6-chloro-2,6,7,7-tetramethyloct-2-ene

6-chloro-2,6,7,7-tetramethyloct-2-ene (PubChem CID 13113735) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 6-chloro-2,6,7,7-tetramethyloct-2-ene.

Molecular Properties

Compound Name6-chloro-2,6,7,7-tetramethyloct-2-ene
PubChem CID13113735
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name6-chloro-2,6,7,7-tetramethyloct-2-ene
SMILESCC(C)=CCCC(C)(Cl)C(C)(C)C
InChIInChI=1S/C12H23Cl/c1-10(2)8-7-9-12(6,13)11(3,4)5/h8H,7,9H2,1-6H3
InChIKeyQHYXXHSATOOYAW-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,6,7,7-tetramethyloct-2-ene?
The IUPAC name of 6-chloro-2,6,7,7-tetramethyloct-2-ene (CID 13113735) is 6-chloro-2,6,7,7-tetramethyloct-2-ene.
What is the SMILES notation for 6-chloro-2,6,7,7-tetramethyloct-2-ene?
The canonical SMILES for 6-chloro-2,6,7,7-tetramethyloct-2-ene is CC(C)=CCCC(C)(Cl)C(C)(C)C.
What is the InChIKey of 6-chloro-2,6,7,7-tetramethyloct-2-ene?
The InChIKey is QHYXXHSATOOYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-10(2)8-7-9-12(6,13)11(3,4)5/h8H,7,9H2,1-6H3.
What are the key properties of 6-chloro-2,6,7,7-tetramethyloct-2-ene?
6-chloro-2,6,7,7-tetramethyloct-2-ene has a molecular weight of 202.77 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,6,7,7-tetramethyloct-2-ene is sourced from PubChem (CID 13113735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).