CID 145472902

C17H22B — CID 145472902

IUPAC—
SMILESC=C/C(C)=C\C([B]CCCc1ccccc1)=C/C
InChIInChI=1S/C17H22B/c1-4-15(3)14-17(5-2)18-13-9-12-16-10-7-6-8-11-16/h4-8,10-11,14H,1,9,12-13H2,2-3H3/b15-14-,17-5+
InChIKeyXSSOYYMKRVCMMU-LEVXMPMZSA-N
MW237.17 g/mol
LogP4.78
Rot. Bonds7

About CID 145472902

CID 145472902 (PubChem CID 145472902) has the molecular formula C17H22B and a molecular weight of 237.17 g/mol.

Molecular Properties

Compound NameCID 145472902
PubChem CID145472902
Molecular FormulaC17H22B
Molecular Weight237.17 g/mol
Exact Mass237.18
IUPAC Name—
SMILESC=C/C(C)=C\C([B]CCCc1ccccc1)=C/C
InChIInChI=1S/C17H22B/c1-4-15(3)14-17(5-2)18-13-9-12-16-10-7-6-8-11-16/h4-8,10-11,14H,1,9,12-13H2,2-3H3/b15-14-,17-5+
InChIKeyXSSOYYMKRVCMMU-LEVXMPMZSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 54.78
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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1,2-bis(ethenyl)benzene;hexylbenzene
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[(4Z)-8-methylnona-4,8-dienyl]benzene
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[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine
CID 145472908

Frequently Asked Questions

What is the IUPAC name of CID 145472902?
The IUPAC name of CID 145472902 (CID 145472902) is not available.
What is the SMILES notation for CID 145472902?
The canonical SMILES for CID 145472902 is C=C/C(C)=C\C([B]CCCc1ccccc1)=C/C.
What is the InChIKey of CID 145472902?
The InChIKey is XSSOYYMKRVCMMU-LEVXMPMZSA-N. The full InChI is InChI=1S/C17H22B/c1-4-15(3)14-17(5-2)18-13-9-12-16-10-7-6-8-11-16/h4-8,10-11,14H,1,9,12-13H2,2-3H3/b15-14-,17-5+.
What are the key properties of CID 145472902?
CID 145472902 has a molecular weight of 237.17 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145472902 is sourced from PubChem (CID 145472902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).