6-(chloromethyl)-6-methyloct-1-ene

C10H19Cl — CID 165446977

IUPAC6-(chloromethyl)-6-methyloct-1-ene
SMILESC=CCCCC(C)(CC)CCl
InChIInChI=1S/C10H19Cl/c1-4-6-7-8-10(3,5-2)9-11/h4H,1,5-9H2,2-3H3
InChIKeyDKKGLQIOFTZTMY-UHFFFAOYSA-N
MW174.71 g/mol
LogP4.00
Rot. Bonds6

About 6-(chloromethyl)-6-methyloct-1-ene

6-(chloromethyl)-6-methyloct-1-ene (PubChem CID 165446977) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 6-(chloromethyl)-6-methyloct-1-ene.

Molecular Properties

Compound Name6-(chloromethyl)-6-methyloct-1-ene
PubChem CID165446977
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name6-(chloromethyl)-6-methyloct-1-ene
SMILESC=CCCCC(C)(CC)CCl
InChIInChI=1S/C10H19Cl/c1-4-6-7-8-10(3,5-2)9-11/h4H,1,5-9H2,2-3H3
InChIKeyDKKGLQIOFTZTMY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylhept-6-en-1-ol
CID 12063159
9-bromo-6,6-dimethylnon-1-ene
CID 170848048
6-ethenyl-6-methyldodeca-1,9-diene
CID 54105098
4-ethyl-4,8-dimethylnon-1-ene
CID 23657619
2-bromo-2-methylhept-6-enoic acid
CID 14195750
1,1-bis(trimethylsilyl)hex-5-enyl-trimethylsilane
CID 71440889
7-fluoro-7-methyloct-1-ene
CID 87159398
hex-1-ene;zinc
CID 174554611
3-ethylundec-10-en-3-yloxysilane
CID 173196898
2-methyl-2-propyldec-9-enoic acid
CID 151821272
2-ethyl-2-fluoronon-8-enoic acid
CID 166852620
8,8,8-trifluoro-7,7-dimethyloct-1-ene
CID 162603112

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-6-methyloct-1-ene?
The IUPAC name of 6-(chloromethyl)-6-methyloct-1-ene (CID 165446977) is 6-(chloromethyl)-6-methyloct-1-ene.
What is the SMILES notation for 6-(chloromethyl)-6-methyloct-1-ene?
The canonical SMILES for 6-(chloromethyl)-6-methyloct-1-ene is C=CCCCC(C)(CC)CCl.
What is the InChIKey of 6-(chloromethyl)-6-methyloct-1-ene?
The InChIKey is DKKGLQIOFTZTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-4-6-7-8-10(3,5-2)9-11/h4H,1,5-9H2,2-3H3.
What are the key properties of 6-(chloromethyl)-6-methyloct-1-ene?
6-(chloromethyl)-6-methyloct-1-ene has a molecular weight of 174.71 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-6-methyloct-1-ene is sourced from PubChem (CID 165446977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).