3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate

C20H34O4-2 — CID 58183374

IUPAC3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate
SMILESCCCC1C(CCC)C(CCC)C(C(=O)[O-])C(C(=O)[O-])C1CCC
InChIInChI=1S/C20H36O4/c1-5-9-13-14(10-6-2)16(12-8-4)18(20(23)24)17(19(21)22)15(13)11-7-3/h13-18H,5-12H2,1-4H3,(H,21,22)(H,23,24)/p-2
InChIKeyAFXBQGGWZYDHOQ-UHFFFAOYSA-L
MW338.49 g/mol
LogP2.40
Rot. Bonds10

About 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate

3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate (PubChem CID 58183374) has the molecular formula C20H34O4-2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate
PubChem CID58183374
Molecular FormulaC20H34O4-2
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate
SMILESCCCC1C(CCC)C(CCC)C(C(=O)[O-])C(C(=O)[O-])C1CCC
InChIInChI=1S/C20H36O4/c1-5-9-13-14(10-6-2)16(12-8-4)18(20(23)24)17(19(21)22)15(13)11-7-3/h13-18H,5-12H2,1-4H3,(H,21,22)(H,23,24)/p-2
InChIKeyAFXBQGGWZYDHOQ-UHFFFAOYSA-L
XLogP2.40
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid
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propanoate;hydrate
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CID 57352970
CID 57352970
copper(1+);propanoate
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europium(2+);propanoate
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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate?
The IUPAC name of 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate (CID 58183374) is 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate?
The canonical SMILES for 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate is CCCC1C(CCC)C(CCC)C(C(=O)[O-])C(C(=O)[O-])C1CCC.
What is the InChIKey of 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate?
The InChIKey is AFXBQGGWZYDHOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H36O4/c1-5-9-13-14(10-6-2)16(12-8-4)18(20(23)24)17(19(21)22)15(13)11-7-3/h13-18H,5-12H2,1-4H3,(H,21,22)(H,23,24)/p-2.
What are the key properties of 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate?
3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate has a molecular weight of 338.49 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrapropylcyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 58183374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).