2,3-dibromonon-1-ene-1,1-diol

C9H16Br2O2 — CID 118275906

IUPAC2,3-dibromonon-1-ene-1,1-diol
SMILESCCCCCCC(Br)C(Br)=C(O)O
InChIInChI=1S/C9H16Br2O2/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7,12-13H,2-6H2,1H3
InChIKeyDGHMCKULZNFRLV-UHFFFAOYSA-N
MW316.03 g/mol
LogP4.40
Rot. Bonds6

About 2,3-dibromonon-1-ene-1,1-diol

2,3-dibromonon-1-ene-1,1-diol (PubChem CID 118275906) has the molecular formula C9H16Br2O2 and a molecular weight of 316.03 g/mol. Its IUPAC name is 2,3-dibromonon-1-ene-1,1-diol.

Molecular Properties

Compound Name2,3-dibromonon-1-ene-1,1-diol
PubChem CID118275906
Molecular FormulaC9H16Br2O2
Molecular Weight316.03 g/mol
Exact Mass313.95
IUPAC Name2,3-dibromonon-1-ene-1,1-diol
SMILESCCCCCCC(Br)C(Br)=C(O)O
InChIInChI=1S/C9H16Br2O2/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7,12-13H,2-6H2,1H3
InChIKeyDGHMCKULZNFRLV-UHFFFAOYSA-N
XLogP4.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.03
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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6,8-dibromotridecan-7-one
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2-bromododecanoate
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(2S)-2-bromohexadecanoyl chloride
CID 129383045
(2R)-2-bromo-9,10-ditritiohexadecanoic acid
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CID 22463419
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
methyl (2S)-2-bromotetradecanoate
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CID 146451299

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromonon-1-ene-1,1-diol?
The IUPAC name of 2,3-dibromonon-1-ene-1,1-diol (CID 118275906) is 2,3-dibromonon-1-ene-1,1-diol.
What is the SMILES notation for 2,3-dibromonon-1-ene-1,1-diol?
The canonical SMILES for 2,3-dibromonon-1-ene-1,1-diol is CCCCCCC(Br)C(Br)=C(O)O.
What is the InChIKey of 2,3-dibromonon-1-ene-1,1-diol?
The InChIKey is DGHMCKULZNFRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2O2/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7,12-13H,2-6H2,1H3.
What are the key properties of 2,3-dibromonon-1-ene-1,1-diol?
2,3-dibromonon-1-ene-1,1-diol has a molecular weight of 316.03 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromonon-1-ene-1,1-diol is sourced from PubChem (CID 118275906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).