cyclohexanol;dimethyl hexanedioate

C14H26O5 — CID 19805859

IUPACcyclohexanol;dimethyl hexanedioate
SMILESCOC(=O)CCCCC(=O)OC.OC1CCCCC1
InChIInChI=1S/C8H14O4.C6H12O/c1-11-7(9)5-3-4-6-8(10)12-2;7-6-4-2-1-3-5-6/h3-6H2,1-2H3;6-7H,1-5H2
InChIKeyHXDGTXBWYAPPDR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.20
Rot. Bonds5

About cyclohexanol;dimethyl hexanedioate

cyclohexanol;dimethyl hexanedioate (PubChem CID 19805859) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is cyclohexanol;dimethyl hexanedioate.

Molecular Properties

Compound Namecyclohexanol;dimethyl hexanedioate
PubChem CID19805859
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namecyclohexanol;dimethyl hexanedioate
SMILESCOC(=O)CCCCC(=O)OC.OC1CCCCC1
InChIInChI=1S/C8H14O4.C6H12O/c1-11-7(9)5-3-4-6-8(10)12-2;7-6-4-2-1-3-5-6/h3-6H2,1-2H3;6-7H,1-5H2
InChIKeyHXDGTXBWYAPPDR-UHFFFAOYSA-N
XLogP2.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dicyclohexyl-(11-methoxy-11-oxoundecyl)-methylazanium
CID 127033061
cyclopentanecarbaldehyde;methyl heptanoate
CID 143522930
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
CID 62013260
5-[2-(5-methoxy-5-oxopentyl)cyclohexyl]pentanoic acid
CID 176900201
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;dimethyl hexanedioate?
The IUPAC name of cyclohexanol;dimethyl hexanedioate (CID 19805859) is cyclohexanol;dimethyl hexanedioate.
What is the SMILES notation for cyclohexanol;dimethyl hexanedioate?
The canonical SMILES for cyclohexanol;dimethyl hexanedioate is COC(=O)CCCCC(=O)OC.OC1CCCCC1.
What is the InChIKey of cyclohexanol;dimethyl hexanedioate?
The InChIKey is HXDGTXBWYAPPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C6H12O/c1-11-7(9)5-3-4-6-8(10)12-2;7-6-4-2-1-3-5-6/h3-6H2,1-2H3;6-7H,1-5H2.
What are the key properties of cyclohexanol;dimethyl hexanedioate?
cyclohexanol;dimethyl hexanedioate has a molecular weight of 274.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;dimethyl hexanedioate is sourced from PubChem (CID 19805859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).