dicyclohexylmethanone;formaldehyde

C14H24O2 — CID 175300134

IUPACdicyclohexylmethanone;formaldehyde
SMILESC=O.O=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22O.CH2O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h11-12H,1-10H2;1H2
InChIKeyWBVNIYKONQKSHX-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.53
Rot. Bonds2

About dicyclohexylmethanone;formaldehyde

dicyclohexylmethanone;formaldehyde (PubChem CID 175300134) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is dicyclohexylmethanone;formaldehyde.

Molecular Properties

Compound Namedicyclohexylmethanone;formaldehyde
PubChem CID175300134
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namedicyclohexylmethanone;formaldehyde
SMILESC=O.O=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22O.CH2O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h11-12H,1-10H2;1H2
InChIKeyWBVNIYKONQKSHX-UHFFFAOYSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

di(cyclobutyl)methanone
CID 15444458
cyclohexanol;dicyclohexylmethanone
CID 174532304
cyclohexyl-(4-cyclopentylcyclohexyl)methanone
CID 141495223
di(cyclobutyl)methanone;trihydrochloride
CID 174768211
cyclotetradecanecarboxylate
CID 140590492
cycloheptyl-(1-methylpiperidin-4-yl)methanone
CID 144802313
cycloheptyl(oxolan-3-yl)methanone
CID 65399453
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one
CID 146165342

Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethanone;formaldehyde?
The IUPAC name of dicyclohexylmethanone;formaldehyde (CID 175300134) is dicyclohexylmethanone;formaldehyde.
What is the SMILES notation for dicyclohexylmethanone;formaldehyde?
The canonical SMILES for dicyclohexylmethanone;formaldehyde is C=O.O=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethanone;formaldehyde?
The InChIKey is WBVNIYKONQKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O.CH2O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h11-12H,1-10H2;1H2.
What are the key properties of dicyclohexylmethanone;formaldehyde?
dicyclohexylmethanone;formaldehyde has a molecular weight of 224.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethanone;formaldehyde is sourced from PubChem (CID 175300134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).