pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

C18H20O10 — CID 3364568

IUPACpentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
SMILESC=CCC1(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C18H20O10/c1-7-8-18(17(23)28-6)11(15(21)26-4)9(13(19)24-2)10(14(20)25-3)12(18)16(22)27-5/h7H,1,8H2,2-6H3
InChIKeyRYPQPFFYTVUXMV-UHFFFAOYSA-N
MW396.35 g/mol
LogP0.02
Rot. Bonds7

About pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate (PubChem CID 3364568) has the molecular formula C18H20O10 and a molecular weight of 396.35 g/mol. Its IUPAC name is pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate.

Molecular Properties

Compound Namepentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
PubChem CID3364568
Molecular FormulaC18H20O10
Molecular Weight396.35 g/mol
Exact Mass396.11
IUPAC Namepentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
SMILESC=CCC1(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C18H20O10/c1-7-8-18(17(23)28-6)11(15(21)26-4)9(13(19)24-2)10(14(20)25-3)12(18)16(22)27-5/h7H,1,8H2,2-6H3
InChIKeyRYPQPFFYTVUXMV-UHFFFAOYSA-N
XLogP0.02
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The IUPAC name of pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate (CID 3364568) is pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate.
What is the SMILES notation for pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The canonical SMILES for pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate is C=CCC1(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The InChIKey is RYPQPFFYTVUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O10/c1-7-8-18(17(23)28-6)11(15(21)26-4)9(13(19)24-2)10(14(20)25-3)12(18)16(22)27-5/h7H,1,8H2,2-6H3.
What are the key properties of pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate has a molecular weight of 396.35 g/mol, XLogP of 0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentamethyl 5-prop-2-enylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate is sourced from PubChem (CID 3364568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).