dipentyl cyclohexane-1,2-dicarboxylate

C18H32O4 — CID 54463206

IUPACdipentyl cyclohexane-1,2-dicarboxylate
SMILESCCCCCOC(=O)C1CCCCC1C(=O)OCCCCC
InChIInChI=1S/C18H32O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyXDAZTLUJXXQHKE-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.26
Rot. Bonds10

About dipentyl cyclohexane-1,2-dicarboxylate

dipentyl cyclohexane-1,2-dicarboxylate (PubChem CID 54463206) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is dipentyl cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namedipentyl cyclohexane-1,2-dicarboxylate
PubChem CID54463206
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Namedipentyl cyclohexane-1,2-dicarboxylate
SMILESCCCCCOC(=O)C1CCCCC1C(=O)OCCCCC
InChIInChI=1S/C18H32O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyXDAZTLUJXXQHKE-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.26
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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Related Compounds

2-O-dodecyl 1-O-heptyl cyclohexane-1,2-dicarboxylate
CID 66983243
1-O-propyl 2-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 69474239
2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
CID 66983200
2-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983530
2-O-(2-methoxyethyl) 1-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 91721705
2-O-(2-chloroethyl) 1-O-octyl cyclohexane-1,2-dicarboxylate
CID 91721777
2-O-(2-chloroethyl) 1-O-undecyl cyclohexane-1,2-dicarboxylate
CID 91722283
cis-tetradecyl (1S,2R)-2-carbonochloridoylcyclohexane-1-carboxylate
CID 139880167
2-O-(5-methylhexyl) 1-O-pentyl cyclohexane-1,2-dicarboxylate
CID 66983110
2-O-(5-methylhexyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
CID 66984027
2-O-(9-methyldecyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
CID 66984129
2-O-(2-methylpropyl) 1-O-tridecyl cyclohexane-1,2-dicarboxylate
CID 69470644

Frequently Asked Questions

What is the IUPAC name of dipentyl cyclohexane-1,2-dicarboxylate?
The IUPAC name of dipentyl cyclohexane-1,2-dicarboxylate (CID 54463206) is dipentyl cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for dipentyl cyclohexane-1,2-dicarboxylate?
The canonical SMILES for dipentyl cyclohexane-1,2-dicarboxylate is CCCCCOC(=O)C1CCCCC1C(=O)OCCCCC.
What is the InChIKey of dipentyl cyclohexane-1,2-dicarboxylate?
The InChIKey is XDAZTLUJXXQHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of dipentyl cyclohexane-1,2-dicarboxylate?
dipentyl cyclohexane-1,2-dicarboxylate has a molecular weight of 312.45 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 54463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).