CID 173281821

C14H19B — CID 173281821

IUPAC—
SMILES[B]c1ccccc1/C=C\CCCCCC
InChIInChI=1S/C14H19B/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h7-12H,2-6H2,1H3/b10-7-
InChIKeyHFTBWFCWQAGMLM-YFHOEESVSA-N
MW198.12 g/mol
LogP3.46
Rot. Bonds6

About CID 173281821

CID 173281821 (PubChem CID 173281821) has the molecular formula C14H19B and a molecular weight of 198.12 g/mol.

Molecular Properties

Compound NameCID 173281821
PubChem CID173281821
Molecular FormulaC14H19B
Molecular Weight198.12 g/mol
Exact Mass198.16
IUPAC Name—
SMILES[B]c1ccccc1/C=C\CCCCCC
InChIInChI=1S/C14H19B/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h7-12H,2-6H2,1H3/b10-7-
InChIKeyHFTBWFCWQAGMLM-YFHOEESVSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 53.46
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'}

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Related Compounds

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CID 12013068
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
3-dec-1-enylbenzene-1,2-diol
CID 139606028
1-[2-[(E)-dec-1-enyl]phenyl]ethanone
CID 11108026
[(E)-octadec-1-enyl]benzene
CID 22722345
2-methyl-3-pentadec-1-enylphenol
CID 69052424
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
2-hept-1-enylbenzoic acid
CID 70379014

Frequently Asked Questions

What is the IUPAC name of CID 173281821?
The IUPAC name of CID 173281821 (CID 173281821) is not available.
What is the SMILES notation for CID 173281821?
The canonical SMILES for CID 173281821 is [B]c1ccccc1/C=C\CCCCCC.
What is the InChIKey of CID 173281821?
The InChIKey is HFTBWFCWQAGMLM-YFHOEESVSA-N. The full InChI is InChI=1S/C14H19B/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h7-12H,2-6H2,1H3/b10-7-.
What are the key properties of CID 173281821?
CID 173281821 has a molecular weight of 198.12 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173281821 is sourced from PubChem (CID 173281821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).