5-bromo-3,3-diethyl-5-methylhept-1-ene

C12H23Br — CID 129043655

IUPAC5-bromo-3,3-diethyl-5-methylhept-1-ene
SMILESC=CC(CC)(CC)CC(C)(Br)CC
InChIInChI=1S/C12H23Br/c1-6-11(5,13)10-12(7-2,8-3)9-4/h7H,2,6,8-10H2,1,3-5H3
InChIKeyRVFSPDCMKVRONW-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.93
Rot. Bonds6

About 5-bromo-3,3-diethyl-5-methylhept-1-ene

5-bromo-3,3-diethyl-5-methylhept-1-ene (PubChem CID 129043655) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is 5-bromo-3,3-diethyl-5-methylhept-1-ene.

Molecular Properties

Compound Name5-bromo-3,3-diethyl-5-methylhept-1-ene
PubChem CID129043655
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name5-bromo-3,3-diethyl-5-methylhept-1-ene
SMILESC=CC(CC)(CC)CC(C)(Br)CC
InChIInChI=1S/C12H23Br/c1-6-11(5,13)10-12(7-2,8-3)9-4/h7H,2,6,8-10H2,1,3-5H3
InChIKeyRVFSPDCMKVRONW-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.93
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 5-bromo-3,3-diethyl-5-methylhept-1-ene?
The IUPAC name of 5-bromo-3,3-diethyl-5-methylhept-1-ene (CID 129043655) is 5-bromo-3,3-diethyl-5-methylhept-1-ene.
What is the SMILES notation for 5-bromo-3,3-diethyl-5-methylhept-1-ene?
The canonical SMILES for 5-bromo-3,3-diethyl-5-methylhept-1-ene is C=CC(CC)(CC)CC(C)(Br)CC.
What is the InChIKey of 5-bromo-3,3-diethyl-5-methylhept-1-ene?
The InChIKey is RVFSPDCMKVRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br/c1-6-11(5,13)10-12(7-2,8-3)9-4/h7H,2,6,8-10H2,1,3-5H3.
What are the key properties of 5-bromo-3,3-diethyl-5-methylhept-1-ene?
5-bromo-3,3-diethyl-5-methylhept-1-ene has a molecular weight of 247.22 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-diethyl-5-methylhept-1-ene is sourced from PubChem (CID 129043655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).