CID 150377989

C12H14Br2O4 — CID 150377989

IUPAC—
SMILESCCCCCCC(Br)(Br)C(=C=O)C(=C=O)C(=O)O
InChIInChI=1S/C12H14Br2O4/c1-2-3-4-5-6-12(13,14)10(8-16)9(7-15)11(17)18/h2-6H2,1H3,(H,17,18)
InChIKeyGZCNZDNUNHGFTK-UHFFFAOYSA-N
MW382.05 g/mol
LogP3.04
Rot. Bonds8

About CID 150377989

CID 150377989 (PubChem CID 150377989) has the molecular formula C12H14Br2O4 and a molecular weight of 382.05 g/mol.

Molecular Properties

Compound NameCID 150377989
PubChem CID150377989
Molecular FormulaC12H14Br2O4
Molecular Weight382.05 g/mol
Exact Mass379.93
IUPAC Name—
SMILESCCCCCCC(Br)(Br)C(=C=O)C(=C=O)C(=O)O
InChIInChI=1S/C12H14Br2O4/c1-2-3-4-5-6-12(13,14)10(8-16)9(7-15)11(17)18/h2-6H2,1H3,(H,17,18)
InChIKeyGZCNZDNUNHGFTK-UHFFFAOYSA-N
XLogP3.04
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.05
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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icosane;oxalic acid
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2-bromo-2-chlorooctadecanoic acid
CID 154381060
2,2,19,19-tetrabromoicosanedioic acid
CID 19862640
2,2-dibromo-N-phenylnonanamide
CID 59766487
decane;propanoic acid
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2,9-dihexyl-2,9-dioctyldecanedioic acid
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Frequently Asked Questions

What is the IUPAC name of CID 150377989?
The IUPAC name of CID 150377989 (CID 150377989) is not available.
What is the SMILES notation for CID 150377989?
The canonical SMILES for CID 150377989 is CCCCCCC(Br)(Br)C(=C=O)C(=C=O)C(=O)O.
What is the InChIKey of CID 150377989?
The InChIKey is GZCNZDNUNHGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O4/c1-2-3-4-5-6-12(13,14)10(8-16)9(7-15)11(17)18/h2-6H2,1H3,(H,17,18).
What are the key properties of CID 150377989?
CID 150377989 has a molecular weight of 382.05 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150377989 is sourced from PubChem (CID 150377989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).