dipentyl cyclohex-2-ene-1,2-dicarboxylate

C18H30O4 — CID 101298187

IUPACdipentyl cyclohex-2-ene-1,2-dicarboxylate
SMILESCCCCCOC(=O)C1=CCCCC1C(=O)OCCCCC
InChIInChI=1S/C18H30O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h11,16H,3-10,12-14H2,1-2H3
InChIKeyMRHSYZHJGCOYGZ-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.18
Rot. Bonds10

About dipentyl cyclohex-2-ene-1,2-dicarboxylate

dipentyl cyclohex-2-ene-1,2-dicarboxylate (PubChem CID 101298187) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is dipentyl cyclohex-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipentyl cyclohex-2-ene-1,2-dicarboxylate
PubChem CID101298187
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Namedipentyl cyclohex-2-ene-1,2-dicarboxylate
SMILESCCCCCOC(=O)C1=CCCCC1C(=O)OCCCCC
InChIInChI=1S/C18H30O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h11,16H,3-10,12-14H2,1-2H3
InChIKeyMRHSYZHJGCOYGZ-UHFFFAOYSA-N
XLogP4.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipentyl cyclohex-2-ene-1,2-dicarboxylate?
The IUPAC name of dipentyl cyclohex-2-ene-1,2-dicarboxylate (CID 101298187) is dipentyl cyclohex-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dipentyl cyclohex-2-ene-1,2-dicarboxylate?
The canonical SMILES for dipentyl cyclohex-2-ene-1,2-dicarboxylate is CCCCCOC(=O)C1=CCCCC1C(=O)OCCCCC.
What is the InChIKey of dipentyl cyclohex-2-ene-1,2-dicarboxylate?
The InChIKey is MRHSYZHJGCOYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h11,16H,3-10,12-14H2,1-2H3.
What are the key properties of dipentyl cyclohex-2-ene-1,2-dicarboxylate?
dipentyl cyclohex-2-ene-1,2-dicarboxylate has a molecular weight of 310.43 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl cyclohex-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 101298187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).