dipropan-2-yl cyclohexane-1,1-dicarboxylate

C14H24O4 — CID 28916877

IUPACdipropan-2-yl cyclohexane-1,1-dicarboxylate
SMILESCC(C)OC(=O)C1(C(=O)OC(C)C)CCCCC1
InChIInChI=1S/C14H24O4/c1-10(2)17-12(15)14(8-6-5-7-9-14)13(16)18-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyJGGOQSJZURGKGL-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.84
Rot. Bonds4

About dipropan-2-yl cyclohexane-1,1-dicarboxylate

dipropan-2-yl cyclohexane-1,1-dicarboxylate (PubChem CID 28916877) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is dipropan-2-yl cyclohexane-1,1-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl cyclohexane-1,1-dicarboxylate
PubChem CID28916877
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namedipropan-2-yl cyclohexane-1,1-dicarboxylate
SMILESCC(C)OC(=O)C1(C(=O)OC(C)C)CCCCC1
InChIInChI=1S/C14H24O4/c1-10(2)17-12(15)14(8-6-5-7-9-14)13(16)18-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyJGGOQSJZURGKGL-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl cyclohexane-1,1-dicarboxylate?
The IUPAC name of dipropan-2-yl cyclohexane-1,1-dicarboxylate (CID 28916877) is dipropan-2-yl cyclohexane-1,1-dicarboxylate.
What is the SMILES notation for dipropan-2-yl cyclohexane-1,1-dicarboxylate?
The canonical SMILES for dipropan-2-yl cyclohexane-1,1-dicarboxylate is CC(C)OC(=O)C1(C(=O)OC(C)C)CCCCC1.
What is the InChIKey of dipropan-2-yl cyclohexane-1,1-dicarboxylate?
The InChIKey is JGGOQSJZURGKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(2)17-12(15)14(8-6-5-7-9-14)13(16)18-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of dipropan-2-yl cyclohexane-1,1-dicarboxylate?
dipropan-2-yl cyclohexane-1,1-dicarboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl cyclohexane-1,1-dicarboxylate is sourced from PubChem (CID 28916877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).