CID 123341194

C16H24B2 — CID 123341194

IUPAC—
SMILES[B]CC=CCC/C=C/CC/C=C/CC/C=C/C[B]
InChIInChI=1S/C16H24B2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h3-6,11-14H,1-2,7-10,15-16H2/b5-3+,6-4+,13-11+,14-12?
InChIKeyCITHPAAYYVSGEC-BHQCESGKSA-N
MW237.99 g/mol
LogP4.73
Rot. Bonds11

About CID 123341194

CID 123341194 (PubChem CID 123341194) has the molecular formula C16H24B2 and a molecular weight of 237.99 g/mol.

Molecular Properties

Compound NameCID 123341194
PubChem CID123341194
Molecular FormulaC16H24B2
Molecular Weight237.99 g/mol
Exact Mass238.21
IUPAC Name—
SMILES[B]CC=CCC/C=C/CC/C=C/CC/C=C/C[B]
InChIInChI=1S/C16H24B2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h3-6,11-14H,1-2,7-10,15-16H2/b5-3+,6-4+,13-11+,14-12?
InChIKeyCITHPAAYYVSGEC-BHQCESGKSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.99
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173485151
(5E)-deca-1,5,9-triene
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CID 72522478
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(E)-oct-4-enedial
CID 5283333
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(213C)octa-2,6-diene-1,8-diol
CID 57064560
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975

Frequently Asked Questions

What is the IUPAC name of CID 123341194?
The IUPAC name of CID 123341194 (CID 123341194) is not available.
What is the SMILES notation for CID 123341194?
The canonical SMILES for CID 123341194 is [B]CC=CCC/C=C/CC/C=C/CC/C=C/C[B].
What is the InChIKey of CID 123341194?
The InChIKey is CITHPAAYYVSGEC-BHQCESGKSA-N. The full InChI is InChI=1S/C16H24B2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h3-6,11-14H,1-2,7-10,15-16H2/b5-3+,6-4+,13-11+,14-12?.
What are the key properties of CID 123341194?
CID 123341194 has a molecular weight of 237.99 g/mol, XLogP of 4.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123341194 is sourced from PubChem (CID 123341194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).