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

C10H19Cl — CID 11019373

IUPAC7-chloro-3,7-dimethyloct-1-ene
SMILESC=CC(C)CCCC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-5-9(2)7-6-8-10(3,4)11/h5,9H,1,6-8H2,2-4H3
InChIKeyKVLRHRMLLQQJFC-UHFFFAOYSA-N
MW174.71 g/mol
LogP4.00
Rot. Bonds5

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

7-chloro-3,7-dimethyloct-1-ene (PubChem CID 11019373) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 7-chloro-3,7-dimethyloct-1-ene.

Molecular Properties

Compound Name7-chloro-3,7-dimethyloct-1-ene
PubChem CID11019373
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name7-chloro-3,7-dimethyloct-1-ene
SMILESC=CC(C)CCCC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-5-9(2)7-6-8-10(3,4)11/h5,9H,1,6-8H2,2-4H3
InChIKeyKVLRHRMLLQQJFC-UHFFFAOYSA-N
XLogP4.00
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 ≤ 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 7-chloro-3,7-dimethyloct-1-ene?
The IUPAC name of 7-chloro-3,7-dimethyloct-1-ene (CID 11019373) is 7-chloro-3,7-dimethyloct-1-ene.
What is the SMILES notation for 7-chloro-3,7-dimethyloct-1-ene?
The canonical SMILES for 7-chloro-3,7-dimethyloct-1-ene is C=CC(C)CCCC(C)(C)Cl.
What is the InChIKey of 7-chloro-3,7-dimethyloct-1-ene?
The InChIKey is KVLRHRMLLQQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-5-9(2)7-6-8-10(3,4)11/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 7-chloro-3,7-dimethyloct-1-ene?
7-chloro-3,7-dimethyloct-1-ene has a molecular weight of 174.71 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,7-dimethyloct-1-ene is sourced from PubChem (CID 11019373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).