CID 10875803

C16H25O — CID 10875803

IUPAC—
SMILESCCCCCCCCCCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H25O/c1-2-3-4-5-6-7-8-9-14-16(17)15-12-10-11-13-15/h10-13H,2-9,14H2,1H3
InChIKeyCMSLUBAYCAKSID-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.49
Rot. Bonds10

About CID 10875803

CID 10875803 (PubChem CID 10875803) has the molecular formula C16H25O and a molecular weight of 233.38 g/mol.

Molecular Properties

Compound NameCID 10875803
PubChem CID10875803
Molecular FormulaC16H25O
Molecular Weight233.38 g/mol
Exact Mass233.19
IUPAC Name—
SMILESCCCCCCCCCCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H25O/c1-2-3-4-5-6-7-8-9-14-16(17)15-12-10-11-13-15/h10-13H,2-9,14H2,1H3
InChIKeyCMSLUBAYCAKSID-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 10950068
CID 10950068
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
CID 46833430
CID 46833430
CID 10875802
CID 10875802
1-phenylheptadecan-1-one
CID 577626
1-(4-amino-3,5-dimethylphenyl)octan-1-one
CID 59815155
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737

Frequently Asked Questions

What is the IUPAC name of CID 10875803?
The IUPAC name of CID 10875803 (CID 10875803) is not available.
What is the SMILES notation for CID 10875803?
The canonical SMILES for CID 10875803 is CCCCCCCCCCC(=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 10875803?
The InChIKey is CMSLUBAYCAKSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O/c1-2-3-4-5-6-7-8-9-14-16(17)15-12-10-11-13-15/h10-13H,2-9,14H2,1H3.
What are the key properties of CID 10875803?
CID 10875803 has a molecular weight of 233.38 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10875803 is sourced from PubChem (CID 10875803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).