3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione

C19H28O6 — CID 177455655

IUPAC3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione
SMILESCCC/C(=C(\C)OC)C1C(=O)OC12C(=O)C(OC(C)C)=C2OC(C)C
InChIInChI=1S/C19H28O6/c1-8-9-13(12(6)22-7)14-18(21)25-19(14)16(20)15(23-10(2)3)17(19)24-11(4)5/h10-11,14H,8-9H2,1-7H3/b13-12-
InChIKeyQGOXNQGFQALRCP-SEYXRHQNSA-N
MW352.43 g/mol
LogP3.26
Rot. Bonds8

About 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione

3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione (PubChem CID 177455655) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione.

Molecular Properties

Compound Name3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione
PubChem CID177455655
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione
SMILESCCC/C(=C(\C)OC)C1C(=O)OC12C(=O)C(OC(C)C)=C2OC(C)C
InChIInChI=1S/C19H28O6/c1-8-9-13(12(6)22-7)14-18(21)25-19(14)16(20)15(23-10(2)3)17(19)24-11(4)5/h10-11,14H,8-9H2,1-7H3/b13-12-
InChIKeyQGOXNQGFQALRCP-SEYXRHQNSA-N
XLogP3.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione?
The IUPAC name of 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione (CID 177455655) is 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione.
What is the SMILES notation for 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione?
The canonical SMILES for 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione is CCC/C(=C(\C)OC)C1C(=O)OC12C(=O)C(OC(C)C)=C2OC(C)C.
What is the InChIKey of 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione?
The InChIKey is QGOXNQGFQALRCP-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H28O6/c1-8-9-13(12(6)22-7)14-18(21)25-19(14)16(20)15(23-10(2)3)17(19)24-11(4)5/h10-11,14H,8-9H2,1-7H3/b13-12-.
What are the key properties of 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione?
3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione has a molecular weight of 352.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-methoxyhex-2-en-3-yl]-5,6-di(propan-2-yloxy)-1-oxaspiro[3.3]hept-5-ene-2,7-dione is sourced from PubChem (CID 177455655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).