CID 158982455

C8H10BiO4 — CID 158982455

IUPAC—
SMILESO=C(O)C1C=CCCC1C(=O)O.[Bi]
InChIInChI=1S/C8H10O4.Bi/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1,3,5-6H,2,4H2,(H,9,10)(H,11,12);
InChIKeyJPEFNQBTPQCKCH-UHFFFAOYSA-N
MW379.14 g/mol
LogP0.36
Rot. Bonds2

About CID 158982455

CID 158982455 (PubChem CID 158982455) has the molecular formula C8H10BiO4 and a molecular weight of 379.14 g/mol.

Molecular Properties

Compound NameCID 158982455
PubChem CID158982455
Molecular FormulaC8H10BiO4
Molecular Weight379.14 g/mol
Exact Mass379.04
IUPAC Name—
SMILESO=C(O)C1C=CCCC1C(=O)O.[Bi]
InChIInChI=1S/C8H10O4.Bi/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1,3,5-6H,2,4H2,(H,9,10)(H,11,12);
InChIKeyJPEFNQBTPQCKCH-UHFFFAOYSA-N
XLogP0.36
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(4,4-dimethylcyclohexyl)oxycarbonylcyclohex-3-ene-1-carboxylic acid
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2-undecoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 150563699
bis(2-ethylhexyl) cyclohex-3-ene-1,2-dicarboxylate;cyclohex-3-ene-1,2-dicarboxylic acid
CID 158794518
(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid
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6-(2-sulfanylbutylidenecarbamoyl)cyclohex-2-ene-1-carboxylic acid
CID 139938281
dimethyl (1R,2S)-cyclohex-3-ene-1,2-dicarboxylate
CID 134992131

Frequently Asked Questions

What is the IUPAC name of CID 158982455?
The IUPAC name of CID 158982455 (CID 158982455) is not available.
What is the SMILES notation for CID 158982455?
The canonical SMILES for CID 158982455 is O=C(O)C1C=CCCC1C(=O)O.[Bi].
What is the InChIKey of CID 158982455?
The InChIKey is JPEFNQBTPQCKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4.Bi/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1,3,5-6H,2,4H2,(H,9,10)(H,11,12);.
What are the key properties of CID 158982455?
CID 158982455 has a molecular weight of 379.14 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158982455 is sourced from PubChem (CID 158982455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).