2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

C33H48O10 — CID 10326309

IUPAC2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCO/C(C)=C(/CCC/C(=C(/C)OC)C1C(=O)C(OC(C)C)=C(OC(C)C)C1=O)C1C(=O)C(OC(C)C)=C(OC(C)C)C1=O
InChIInChI=1S/C33H48O10/c1-16(2)40-30-26(34)24(27(35)31(30)41-17(3)4)22(20(9)38-11)14-13-15-23(21(10)39-12)25-28(36)32(42-18(5)6)33(29(25)37)43-19(7)8/h16-19,24-25H,13-15H2,1-12H3/b22-20-,23-21+
InChIKeyRGQYJDLPQLSEDW-KEEJTVGESA-N
MW604.74 g/mol
LogP5.66
Rot. Bonds16

About 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (PubChem CID 10326309) has the molecular formula C33H48O10 and a molecular weight of 604.74 g/mol. Its IUPAC name is 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
PubChem CID10326309
Molecular FormulaC33H48O10
Molecular Weight604.74 g/mol
Exact Mass604.32
IUPAC Name2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCO/C(C)=C(/CCC/C(=C(/C)OC)C1C(=O)C(OC(C)C)=C(OC(C)C)C1=O)C1C(=O)C(OC(C)C)=C(OC(C)C)C1=O
InChIInChI=1S/C33H48O10/c1-16(2)40-30-26(34)24(27(35)31(30)41-17(3)4)22(20(9)38-11)14-13-15-23(21(10)39-12)25-28(36)32(42-18(5)6)33(29(25)37)43-19(7)8/h16-19,24-25H,13-15H2,1-12H3/b22-20-,23-21+
InChIKeyRGQYJDLPQLSEDW-KEEJTVGESA-N
XLogP5.66
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.74
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The IUPAC name of 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (CID 10326309) is 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is CO/C(C)=C(/CCC/C(=C(/C)OC)C1C(=O)C(OC(C)C)=C(OC(C)C)C1=O)C1C(=O)C(OC(C)C)=C(OC(C)C)C1=O.
What is the InChIKey of 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The InChIKey is RGQYJDLPQLSEDW-KEEJTVGESA-N. The full InChI is InChI=1S/C33H48O10/c1-16(2)40-30-26(34)24(27(35)31(30)41-17(3)4)22(20(9)38-11)14-13-15-23(21(10)39-12)25-28(36)32(42-18(5)6)33(29(25)37)43-19(7)8/h16-19,24-25H,13-15H2,1-12H3/b22-20-,23-21+.
What are the key properties of 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione has a molecular weight of 604.74 g/mol, XLogP of 5.66, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 10326309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).