bicyclo[13.1.0]hexadecan-2-one

C16H28O — CID 543951

IUPACbicyclo[13.1.0]hexadecan-2-one
SMILESO=C1CCCCCCCCCCCCC2CC12
InChIInChI=1S/C16H28O/c17-16-12-10-8-6-4-2-1-3-5-7-9-11-14-13-15(14)16/h14-15H,1-13H2
InChIKeyBIKRAVWBNXPMMM-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.89
Rot. Bonds

About bicyclo[13.1.0]hexadecan-2-one

bicyclo[13.1.0]hexadecan-2-one (PubChem CID 543951) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is bicyclo[13.1.0]hexadecan-2-one.

Molecular Properties

Compound Namebicyclo[13.1.0]hexadecan-2-one
PubChem CID543951
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Namebicyclo[13.1.0]hexadecan-2-one
SMILESO=C1CCCCCCCCCCCCC2CC12
InChIInChI=1S/C16H28O/c17-16-12-10-8-6-4-2-1-3-5-7-9-11-14-13-15(14)16/h14-15H,1-13H2
InChIKeyBIKRAVWBNXPMMM-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[13.1.0]hexadecan-2-one?
The IUPAC name of bicyclo[13.1.0]hexadecan-2-one (CID 543951) is bicyclo[13.1.0]hexadecan-2-one.
What is the SMILES notation for bicyclo[13.1.0]hexadecan-2-one?
The canonical SMILES for bicyclo[13.1.0]hexadecan-2-one is O=C1CCCCCCCCCCCCC2CC12.
What is the InChIKey of bicyclo[13.1.0]hexadecan-2-one?
The InChIKey is BIKRAVWBNXPMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c17-16-12-10-8-6-4-2-1-3-5-7-9-11-14-13-15(14)16/h14-15H,1-13H2.
What are the key properties of bicyclo[13.1.0]hexadecan-2-one?
bicyclo[13.1.0]hexadecan-2-one has a molecular weight of 236.40 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[13.1.0]hexadecan-2-one is sourced from PubChem (CID 543951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).