1-chloro-2,4,4,6-tetramethylheptane

C11H23Cl — CID 151512722

IUPAC1-chloro-2,4,4,6-tetramethylheptane
SMILESCC(C)CC(C)(C)CC(C)CCl
InChIInChI=1S/C11H23Cl/c1-9(2)6-11(4,5)7-10(3)8-12/h9-10H,6-8H2,1-5H3
InChIKeyPSURSKHDWSPHCH-UHFFFAOYSA-N
MW190.76 g/mol
LogP4.32
Rot. Bonds5

About 1-chloro-2,4,4,6-tetramethylheptane

1-chloro-2,4,4,6-tetramethylheptane (PubChem CID 151512722) has the molecular formula C11H23Cl and a molecular weight of 190.76 g/mol. Its IUPAC name is 1-chloro-2,4,4,6-tetramethylheptane.

Molecular Properties

Compound Name1-chloro-2,4,4,6-tetramethylheptane
PubChem CID151512722
Molecular FormulaC11H23Cl
Molecular Weight190.76 g/mol
Exact Mass190.15
IUPAC Name1-chloro-2,4,4,6-tetramethylheptane
SMILESCC(C)CC(C)(C)CC(C)CCl
InChIInChI=1S/C11H23Cl/c1-9(2)6-11(4,5)7-10(3)8-12/h9-10H,6-8H2,1-5H3
InChIKeyPSURSKHDWSPHCH-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.76
LogP ≤ 54.32
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 1-chloro-2,4,4,6-tetramethylheptane?
The IUPAC name of 1-chloro-2,4,4,6-tetramethylheptane (CID 151512722) is 1-chloro-2,4,4,6-tetramethylheptane.
What is the SMILES notation for 1-chloro-2,4,4,6-tetramethylheptane?
The canonical SMILES for 1-chloro-2,4,4,6-tetramethylheptane is CC(C)CC(C)(C)CC(C)CCl.
What is the InChIKey of 1-chloro-2,4,4,6-tetramethylheptane?
The InChIKey is PSURSKHDWSPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl/c1-9(2)6-11(4,5)7-10(3)8-12/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-chloro-2,4,4,6-tetramethylheptane?
1-chloro-2,4,4,6-tetramethylheptane has a molecular weight of 190.76 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4,4,6-tetramethylheptane is sourced from PubChem (CID 151512722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).