CID 69025009

C14H22KO — CID 69025009

IUPAC—
SMILESCCCCCCCCc1ccccc1O.[K]
InChIInChI=1S/C14H22O.K/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h8-9,11-12,15H,2-7,10H2,1H3;
InChIKeyPPBDIFFCMSLYBF-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.91
Rot. Bonds7

About CID 69025009

CID 69025009 (PubChem CID 69025009) has the molecular formula C14H22KO and a molecular weight of 245.43 g/mol.

Molecular Properties

Compound NameCID 69025009
PubChem CID69025009
Molecular FormulaC14H22KO
Molecular Weight245.43 g/mol
Exact Mass245.13
IUPAC Name—
SMILESCCCCCCCCc1ccccc1O.[K]
InChIInChI=1S/C14H22O.K/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h8-9,11-12,15H,2-7,10H2,1H3;
InChIKeyPPBDIFFCMSLYBF-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
lithium;2-dodecylphenol;hydride
CID 174657819
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
2-nonylphenol;pentan-1-ol
CID 70367302
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of CID 69025009?
The IUPAC name of CID 69025009 (CID 69025009) is not available.
What is the SMILES notation for CID 69025009?
The canonical SMILES for CID 69025009 is CCCCCCCCc1ccccc1O.[K].
What is the InChIKey of CID 69025009?
The InChIKey is PPBDIFFCMSLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.K/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h8-9,11-12,15H,2-7,10H2,1H3;.
What are the key properties of CID 69025009?
CID 69025009 has a molecular weight of 245.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69025009 is sourced from PubChem (CID 69025009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).