1-cyclohexadecylpropan-2-one

C19H36O — CID 175123721

IUPAC1-cyclohexadecylpropan-2-one
SMILESCC(=O)CC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C19H36O/c1-18(20)17-19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19/h19H,2-17H2,1H3
InChIKeyAEXZAKKFROQJOW-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.45
Rot. Bonds2

About 1-cyclohexadecylpropan-2-one

1-cyclohexadecylpropan-2-one (PubChem CID 175123721) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-cyclohexadecylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexadecylpropan-2-one
PubChem CID175123721
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-cyclohexadecylpropan-2-one
SMILESCC(=O)CC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C19H36O/c1-18(20)17-19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19/h19H,2-17H2,1H3
InChIKeyAEXZAKKFROQJOW-UHFFFAOYSA-N
XLogP6.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexadecylpropan-2-one?
The IUPAC name of 1-cyclohexadecylpropan-2-one (CID 175123721) is 1-cyclohexadecylpropan-2-one.
What is the SMILES notation for 1-cyclohexadecylpropan-2-one?
The canonical SMILES for 1-cyclohexadecylpropan-2-one is CC(=O)CC1CCCCCCCCCCCCCCC1.
What is the InChIKey of 1-cyclohexadecylpropan-2-one?
The InChIKey is AEXZAKKFROQJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-18(20)17-19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19/h19H,2-17H2,1H3.
What are the key properties of 1-cyclohexadecylpropan-2-one?
1-cyclohexadecylpropan-2-one has a molecular weight of 280.50 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexadecylpropan-2-one is sourced from PubChem (CID 175123721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).