8-(4-bromobutoxy)-2,6-dimethyloct-1-ene

C14H27BrO — CID 139648567

IUPAC8-(4-bromobutoxy)-2,6-dimethyloct-1-ene
SMILESC=C(C)CCCC(C)CCOCCCCBr
InChIInChI=1S/C14H27BrO/c1-13(2)7-6-8-14(3)9-12-16-11-5-4-10-15/h14H,1,4-12H2,2-3H3
InChIKeyIVOSNMKUKHEDJH-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.95
Rot. Bonds11

About 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene

8-(4-bromobutoxy)-2,6-dimethyloct-1-ene (PubChem CID 139648567) has the molecular formula C14H27BrO and a molecular weight of 291.27 g/mol. Its IUPAC name is 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene.

Molecular Properties

Compound Name8-(4-bromobutoxy)-2,6-dimethyloct-1-ene
PubChem CID139648567
Molecular FormulaC14H27BrO
Molecular Weight291.27 g/mol
Exact Mass290.12
IUPAC Name8-(4-bromobutoxy)-2,6-dimethyloct-1-ene
SMILESC=C(C)CCCC(C)CCOCCCCBr
InChIInChI=1S/C14H27BrO/c1-13(2)7-6-8-14(3)9-12-16-11-5-4-10-15/h14H,1,4-12H2,2-3H3
InChIKeyIVOSNMKUKHEDJH-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene?
The IUPAC name of 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene (CID 139648567) is 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene.
What is the SMILES notation for 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene?
The canonical SMILES for 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene is C=C(C)CCCC(C)CCOCCCCBr.
What is the InChIKey of 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene?
The InChIKey is IVOSNMKUKHEDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO/c1-13(2)7-6-8-14(3)9-12-16-11-5-4-10-15/h14H,1,4-12H2,2-3H3.
What are the key properties of 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene?
8-(4-bromobutoxy)-2,6-dimethyloct-1-ene has a molecular weight of 291.27 g/mol, XLogP of 4.95, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromobutoxy)-2,6-dimethyloct-1-ene is sourced from PubChem (CID 139648567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).