7-chloro-3,5-dimethyloct-1-ene

C10H19Cl — CID 86260541

IUPAC7-chloro-3,5-dimethyloct-1-ene
SMILESC=CC(C)CC(C)CC(C)Cl
InChIInChI=1S/C10H19Cl/c1-5-8(2)6-9(3)7-10(4)11/h5,8-10H,1,6-7H2,2-4H3
InChIKeyZECJGBDYJFXNMV-UHFFFAOYSA-N
MW174.71 g/mol
LogP3.85
Rot. Bonds5

About 7-chloro-3,5-dimethyloct-1-ene

7-chloro-3,5-dimethyloct-1-ene (PubChem CID 86260541) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 7-chloro-3,5-dimethyloct-1-ene.

Molecular Properties

Compound Name7-chloro-3,5-dimethyloct-1-ene
PubChem CID86260541
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name7-chloro-3,5-dimethyloct-1-ene
SMILESC=CC(C)CC(C)CC(C)Cl
InChIInChI=1S/C10H19Cl/c1-5-8(2)6-9(3)7-10(4)11/h5,8-10H,1,6-7H2,2-4H3
InChIKeyZECJGBDYJFXNMV-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.85
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 7-chloro-3,5-dimethyloct-1-ene?
The IUPAC name of 7-chloro-3,5-dimethyloct-1-ene (CID 86260541) is 7-chloro-3,5-dimethyloct-1-ene.
What is the SMILES notation for 7-chloro-3,5-dimethyloct-1-ene?
The canonical SMILES for 7-chloro-3,5-dimethyloct-1-ene is C=CC(C)CC(C)CC(C)Cl.
What is the InChIKey of 7-chloro-3,5-dimethyloct-1-ene?
The InChIKey is ZECJGBDYJFXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-5-8(2)6-9(3)7-10(4)11/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 7-chloro-3,5-dimethyloct-1-ene?
7-chloro-3,5-dimethyloct-1-ene has a molecular weight of 174.71 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,5-dimethyloct-1-ene is sourced from PubChem (CID 86260541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).