6-chloro-2,5,6-trimethylhept-2-ene

C10H19Cl — CID 13419840

IUPAC6-chloro-2,5,6-trimethylhept-2-ene
SMILESCC(C)=CCC(C)C(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-8(2)6-7-9(3)10(4,5)11/h6,9H,7H2,1-5H3
InChIKeyJURDCQCROLHWLD-UHFFFAOYSA-N
MW174.72 g/mol
LogP4.00
Rot. Bonds3

About 6-chloro-2,5,6-trimethylhept-2-ene

6-chloro-2,5,6-trimethylhept-2-ene (PubChem CID 13419840) has the molecular formula C10H19Cl and a molecular weight of 174.72 g/mol. Its IUPAC name is 6-chloro-2,5,6-trimethylhept-2-ene.

Molecular Properties

Compound Name6-chloro-2,5,6-trimethylhept-2-ene
PubChem CID13419840
Molecular FormulaC10H19Cl
Molecular Weight174.72 g/mol
Exact Mass174.12
IUPAC Name6-chloro-2,5,6-trimethylhept-2-ene
SMILESCC(C)=CCC(C)C(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-8(2)6-7-9(3)10(4,5)11/h6,9H,7H2,1-5H3
InChIKeyJURDCQCROLHWLD-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.72
LogP ≤ 54.00
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-2,5,6-trimethylhept-2-ene?
The IUPAC name of 6-chloro-2,5,6-trimethylhept-2-ene (CID 13419840) is 6-chloro-2,5,6-trimethylhept-2-ene.
What is the SMILES notation for 6-chloro-2,5,6-trimethylhept-2-ene?
The canonical SMILES for 6-chloro-2,5,6-trimethylhept-2-ene is CC(C)=CCC(C)C(C)(C)Cl.
What is the InChIKey of 6-chloro-2,5,6-trimethylhept-2-ene?
The InChIKey is JURDCQCROLHWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-8(2)6-7-9(3)10(4,5)11/h6,9H,7H2,1-5H3.
What are the key properties of 6-chloro-2,5,6-trimethylhept-2-ene?
6-chloro-2,5,6-trimethylhept-2-ene has a molecular weight of 174.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5,6-trimethylhept-2-ene is sourced from PubChem (CID 13419840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).