dicyclohexyl furan-3,4-dicarboxylate

C18H24O5 — CID 71348415

IUPACdicyclohexyl furan-3,4-dicarboxylate
SMILESO=C(OC1CCCCC1)c1cocc1C(=O)OC1CCCCC1
InChIInChI=1S/C18H24O5/c19-17(22-13-7-3-1-4-8-13)15-11-21-12-16(15)18(20)23-14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyRTJOWUWHHKVXDE-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.26
Rot. Bonds4

About dicyclohexyl furan-3,4-dicarboxylate

dicyclohexyl furan-3,4-dicarboxylate (PubChem CID 71348415) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is dicyclohexyl furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedicyclohexyl furan-3,4-dicarboxylate
PubChem CID71348415
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Namedicyclohexyl furan-3,4-dicarboxylate
SMILESO=C(OC1CCCCC1)c1cocc1C(=O)OC1CCCCC1
InChIInChI=1S/C18H24O5/c19-17(22-13-7-3-1-4-8-13)15-11-21-12-16(15)18(20)23-14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyRTJOWUWHHKVXDE-UHFFFAOYSA-N
XLogP4.26
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl furan-3,4-dicarboxylate?
The IUPAC name of dicyclohexyl furan-3,4-dicarboxylate (CID 71348415) is dicyclohexyl furan-3,4-dicarboxylate.
What is the SMILES notation for dicyclohexyl furan-3,4-dicarboxylate?
The canonical SMILES for dicyclohexyl furan-3,4-dicarboxylate is O=C(OC1CCCCC1)c1cocc1C(=O)OC1CCCCC1.
What is the InChIKey of dicyclohexyl furan-3,4-dicarboxylate?
The InChIKey is RTJOWUWHHKVXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c19-17(22-13-7-3-1-4-8-13)15-11-21-12-16(15)18(20)23-14-9-5-2-6-10-14/h11-14H,1-10H2.
What are the key properties of dicyclohexyl furan-3,4-dicarboxylate?
dicyclohexyl furan-3,4-dicarboxylate has a molecular weight of 320.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl furan-3,4-dicarboxylate is sourced from PubChem (CID 71348415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).