cyclohexanol;dicyclohexylmethanone

C19H34O2 — CID 174532304

IUPACcyclohexanol;dicyclohexylmethanone
SMILESO=C(C1CCCCC1)C1CCCCC1.OC1CCCCC1
InChIInChI=1S/C13H22O.C6H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h11-12H,1-10H2;6-7H,1-5H2
InChIKeyGCIXDTFRLXXFBH-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.03
Rot. Bonds2

About cyclohexanol;dicyclohexylmethanone

cyclohexanol;dicyclohexylmethanone (PubChem CID 174532304) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is cyclohexanol;dicyclohexylmethanone.

Molecular Properties

Compound Namecyclohexanol;dicyclohexylmethanone
PubChem CID174532304
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Namecyclohexanol;dicyclohexylmethanone
SMILESO=C(C1CCCCC1)C1CCCCC1.OC1CCCCC1
InChIInChI=1S/C13H22O.C6H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h11-12H,1-10H2;6-7H,1-5H2
InChIKeyGCIXDTFRLXXFBH-UHFFFAOYSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dicyclohexylmethanone;formaldehyde
CID 175300134
di(cyclobutyl)methanone
CID 15444458
cyclohexanol;cyclooctanol
CID 22461579
4-hydroxycyclododecane-1-carboxylic acid
CID 23321574
cyclohexyl-(4-cyclopentylcyclohexyl)methanone
CID 141495223
di(cyclobutyl)methanone;trihydrochloride
CID 174768211
tetrakis(cyclooctanol);zirconium
CID 142301923
cyclohexanol;gallane
CID 172997547
cyclohexanol;iron
CID 146901686
acetic acid;cyclohexanol
CID 19963759
sodium 4-hydroxycyclododecane-1-carboxylate
CID 23699033
bis(carbon dioxide);bis(cyclohexanol)
CID 159091312

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;dicyclohexylmethanone?
The IUPAC name of cyclohexanol;dicyclohexylmethanone (CID 174532304) is cyclohexanol;dicyclohexylmethanone.
What is the SMILES notation for cyclohexanol;dicyclohexylmethanone?
The canonical SMILES for cyclohexanol;dicyclohexylmethanone is O=C(C1CCCCC1)C1CCCCC1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;dicyclohexylmethanone?
The InChIKey is GCIXDTFRLXXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O.C6H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h11-12H,1-10H2;6-7H,1-5H2.
What are the key properties of cyclohexanol;dicyclohexylmethanone?
cyclohexanol;dicyclohexylmethanone has a molecular weight of 294.48 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;dicyclohexylmethanone is sourced from PubChem (CID 174532304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).