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

C10H19Cl — CID 71333528

IUPAC7-chloro-5,7-dimethyloct-1-ene
SMILESC=CCCC(C)CC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-5-6-7-9(2)8-10(3,4)11/h5,9H,1,6-8H2,2-4H3
InChIKeyFUMGDXRFFDVZSG-UHFFFAOYSA-N
MW174.72 g/mol
LogP4.00
Rot. Bonds5

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

7-chloro-5,7-dimethyloct-1-ene (PubChem CID 71333528) has the molecular formula C10H19Cl and a molecular weight of 174.72 g/mol. Its IUPAC name is 7-chloro-5,7-dimethyloct-1-ene.

Molecular Properties

Compound Name7-chloro-5,7-dimethyloct-1-ene
PubChem CID71333528
Molecular FormulaC10H19Cl
Molecular Weight174.72 g/mol
Exact Mass174.12
IUPAC Name7-chloro-5,7-dimethyloct-1-ene
SMILESC=CCCC(C)CC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-5-6-7-9(2)8-10(3,4)11/h5,9H,1,6-8H2,2-4H3
InChIKeyFUMGDXRFFDVZSG-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 ≤ 500174.72
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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Related Compounds

7-Chloro-3,7-dimethyl-1-octene
CID 11019373
1,1-Dimethyl-5-hexenyl chloride
CID 12678538
3,5-Dimethyloctene
CID 18443714
7-Chloro-7-methyl-3-methyleneoct-1-ene
CID 3015281
9-Chloro-3-methylnon-1-ene
CID 21838954
6-Chloro-2,6-dimethylhept-1-ene
CID 54312946
3-(2-Chloro-2-methylpropyl)cyclopentene
CID 13291551
5-(Chloromethyl)tridec-1-ene
CID 101431507
4-(2-Chloroethyl)dodec-1-ene
CID 101431509
Isopropyl diethyl methylene ethyl chloride
CID 129825779
(3S,6R)-6-(2-chloropropan-2-yl)-3-deuterio-3-methylcyclohexene
CID 134861267
(E)-12-chloro-6-propyldodec-4-ene
CID 176426741

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,7-dimethyloct-1-ene?
The IUPAC name of 7-chloro-5,7-dimethyloct-1-ene (CID 71333528) is 7-chloro-5,7-dimethyloct-1-ene.
What is the SMILES notation for 7-chloro-5,7-dimethyloct-1-ene?
The canonical SMILES for 7-chloro-5,7-dimethyloct-1-ene is C=CCCC(C)CC(C)(C)Cl.
What is the InChIKey of 7-chloro-5,7-dimethyloct-1-ene?
The InChIKey is FUMGDXRFFDVZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-5-6-7-9(2)8-10(3,4)11/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 7-chloro-5,7-dimethyloct-1-ene?
7-chloro-5,7-dimethyloct-1-ene has a molecular weight of 174.72 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-5,7-dimethyloct-1-ene is sourced from PubChem (CID 71333528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).