1,1-dibromo-3-methylnon-1-ene

C10H18Br2 — CID 135202124

IUPAC1,1-dibromo-3-methylnon-1-ene
SMILESCCCCCCC(C)C=C(Br)Br
InChIInChI=1S/C10H18Br2/c1-3-4-5-6-7-9(2)8-10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyWNTUGBHLSUPDIH-UHFFFAOYSA-N
MW298.06 g/mol
LogP5.22
Rot. Bonds6

About 1,1-dibromo-3-methylnon-1-ene

1,1-dibromo-3-methylnon-1-ene (PubChem CID 135202124) has the molecular formula C10H18Br2 and a molecular weight of 298.06 g/mol. Its IUPAC name is 1,1-dibromo-3-methylnon-1-ene.

Molecular Properties

Compound Name1,1-dibromo-3-methylnon-1-ene
PubChem CID135202124
Molecular FormulaC10H18Br2
Molecular Weight298.06 g/mol
Exact Mass295.98
IUPAC Name1,1-dibromo-3-methylnon-1-ene
SMILESCCCCCCC(C)C=C(Br)Br
InChIInChI=1S/C10H18Br2/c1-3-4-5-6-7-9(2)8-10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyWNTUGBHLSUPDIH-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.06
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyldec-2-ene
CID 522542
ethyl (E)-2,4-dimethylhenicos-2-enoate
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(3S,4E,7R)-1,1-dibromo-3,5,7-trimethyltrideca-1,4-diene
CID 10883405
hexadecyl 2,4-dimethyltetradec-2-enoate
CID 174832460
2-methyldodecanal
CID 87784106
(E)-2-acetyl-4-methyltridec-2-enoic acid
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N-(2-methylundecylidene)hydroxylamine
CID 72729964
[(3R)-3-methyl-1-phenyldec-1-enyl]benzene
CID 101447550
(E)-4-methylicos-2-ene
CID 166512402
nonacosane-14,15-diol
CID 91509633
(2R,3S)-dodecane-2,3-diol
CID 163394646
(E)-5-methyldodec-3-ene
CID 173194511

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-methylnon-1-ene?
The IUPAC name of 1,1-dibromo-3-methylnon-1-ene (CID 135202124) is 1,1-dibromo-3-methylnon-1-ene.
What is the SMILES notation for 1,1-dibromo-3-methylnon-1-ene?
The canonical SMILES for 1,1-dibromo-3-methylnon-1-ene is CCCCCCC(C)C=C(Br)Br.
What is the InChIKey of 1,1-dibromo-3-methylnon-1-ene?
The InChIKey is WNTUGBHLSUPDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2/c1-3-4-5-6-7-9(2)8-10(11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,1-dibromo-3-methylnon-1-ene?
1,1-dibromo-3-methylnon-1-ene has a molecular weight of 298.06 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-methylnon-1-ene is sourced from PubChem (CID 135202124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).