dicyclohexylmethanone

C13H22O — CID 8403

IUPACdicyclohexylmethanone
SMILESO=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyTWXWPPKDQOWNSX-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds2

About dicyclohexylmethanone

dicyclohexylmethanone (PubChem CID 8403) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is dicyclohexylmethanone.

Molecular Properties

Compound Namedicyclohexylmethanone
PubChem CID8403
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Namedicyclohexylmethanone
SMILESO=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyTWXWPPKDQOWNSX-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethanone?
The IUPAC name of dicyclohexylmethanone (CID 8403) is dicyclohexylmethanone.
What is the SMILES notation for dicyclohexylmethanone?
The canonical SMILES for dicyclohexylmethanone is O=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethanone?
The InChIKey is TWXWPPKDQOWNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of dicyclohexylmethanone?
dicyclohexylmethanone has a molecular weight of 194.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethanone is sourced from PubChem (CID 8403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).