4,5-dibromo-3-methylidenenonane

C10H18Br2 — CID 139674420

IUPAC4,5-dibromo-3-methylidenenonane
SMILESC=C(CC)C(Br)C(Br)CCCC
InChIInChI=1S/C10H18Br2/c1-4-6-7-9(11)10(12)8(3)5-2/h9-10H,3-7H2,1-2H3
InChIKeyOJZCLOLLCSRRLR-UHFFFAOYSA-N
MW298.06 g/mol
LogP4.67
Rot. Bonds6

About 4,5-dibromo-3-methylidenenonane

4,5-dibromo-3-methylidenenonane (PubChem CID 139674420) has the molecular formula C10H18Br2 and a molecular weight of 298.06 g/mol. Its IUPAC name is 4,5-dibromo-3-methylidenenonane.

Molecular Properties

Compound Name4,5-dibromo-3-methylidenenonane
PubChem CID139674420
Molecular FormulaC10H18Br2
Molecular Weight298.06 g/mol
Exact Mass295.98
IUPAC Name4,5-dibromo-3-methylidenenonane
SMILESC=C(CC)C(Br)C(Br)CCCC
InChIInChI=1S/C10H18Br2/c1-4-6-7-9(11)10(12)8(3)5-2/h9-10H,3-7H2,1-2H3
InChIKeyOJZCLOLLCSRRLR-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 54.67
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

(4R)-4-methyl-3-methylideneoctane
CID 10820618
4-methyl-3-methylidenedecane
CID 123290966
methyl (2R,3S)-2,3-dibromononanoate
CID 134966243
4,5-dibromo-2-methylidenetridecanoic acid
CID 22753996
2-bromo-3-methylidenepentane
CID 88691030
6-bromo-5-propyltridecane
CID 174956937
3-bromo-2-methyldodecane
CID 63470480
3-bromo-2-methyldecane
CID 63470479
8,9-dibromo-2-methylideneoctadecanoic acid
CID 22753991
(9R,10R)-9,10-dibromo-2-methylideneoctadecanoic acid
CID 129383070
9,10-dibromo-2-methylideneheptadecanoic acid
CID 22753976
2-but-1-en-2-yl-N-methylheptan-1-amine
CID 155207004

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-methylidenenonane?
The IUPAC name of 4,5-dibromo-3-methylidenenonane (CID 139674420) is 4,5-dibromo-3-methylidenenonane.
What is the SMILES notation for 4,5-dibromo-3-methylidenenonane?
The canonical SMILES for 4,5-dibromo-3-methylidenenonane is C=C(CC)C(Br)C(Br)CCCC.
What is the InChIKey of 4,5-dibromo-3-methylidenenonane?
The InChIKey is OJZCLOLLCSRRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2/c1-4-6-7-9(11)10(12)8(3)5-2/h9-10H,3-7H2,1-2H3.
What are the key properties of 4,5-dibromo-3-methylidenenonane?
4,5-dibromo-3-methylidenenonane has a molecular weight of 298.06 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-methylidenenonane is sourced from PubChem (CID 139674420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).