dicyclohexyl pentanedioate

C17H28O4 — CID 15593941

IUPACdicyclohexyl pentanedioate
SMILESO=C(CCCC(=O)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C17H28O4/c18-16(20-14-8-3-1-4-9-14)12-7-13-17(19)21-15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyQMHOJBZGLTYRED-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.91
Rot. Bonds6

About dicyclohexyl pentanedioate

dicyclohexyl pentanedioate (PubChem CID 15593941) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is dicyclohexyl pentanedioate.

Molecular Properties

Compound Namedicyclohexyl pentanedioate
PubChem CID15593941
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Namedicyclohexyl pentanedioate
SMILESO=C(CCCC(=O)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C17H28O4/c18-16(20-14-8-3-1-4-9-14)12-7-13-17(19)21-15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyQMHOJBZGLTYRED-UHFFFAOYSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl pentanedioate?
The IUPAC name of dicyclohexyl pentanedioate (CID 15593941) is dicyclohexyl pentanedioate.
What is the SMILES notation for dicyclohexyl pentanedioate?
The canonical SMILES for dicyclohexyl pentanedioate is O=C(CCCC(=O)OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyl pentanedioate?
The InChIKey is QMHOJBZGLTYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c18-16(20-14-8-3-1-4-9-14)12-7-13-17(19)21-15-10-5-2-6-11-15/h14-15H,1-13H2.
What are the key properties of dicyclohexyl pentanedioate?
dicyclohexyl pentanedioate has a molecular weight of 296.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl pentanedioate is sourced from PubChem (CID 15593941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).