methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate

C38H56O10 — CID 10101002

About methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate

methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate (PubChem CID 10101002) has the molecular formula C38H56O10 and a molecular weight of 672.86 g/mol. Its IUPAC name is methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate.

Molecular Properties

• Compound Name: methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate
• PubChem CID: 10101002
• Molecular Formula: C38H56O10
• Molecular Weight: 672.86 g/mol
• Exact Mass: 672.39
• IUPAC Name: methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate
• SMILES: CCCCC1(C(/C=C/C(C)=C/C(=O)OC)OC(C)=O)CCC2(CCC(C)C(C/C=C(C)/C=C/C(OC(C)=O)C(C)/C=C/C(=O)OC)O2)O1
• InChI: InChI=1S/C38H56O10/c1-10-11-21-37(34(46-31(7)40)18-14-27(3)25-36(42)44-9)23-24-38(48-37)22-20-29(5)33(47-38)17-13-26(2)12-16-32(45-30(6)39)28(4)15-19-35(41)43-8/h12-16,18-19,25,28-29,32-34H,10-11,17,20-24H2,1-9H3/b16-12+,18-14+,19-15+,26-13+,27-25+
• InChIKey: JIKAUIRADDWPHA-CUJBWACRSA-N
• XLogP: 7.03
• TPSA: 123.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.86
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate?

The IUPAC name of methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate (CID 10101002) is methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate.

What is the SMILES notation for methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate?

The canonical SMILES for methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate is CCCCC1(C(/C=C/C(C)=C/C(=O)OC)OC(C)=O)CCC2(CCC(C)C(C/C=C(C)/C=C/C(OC(C)=O)C(C)/C=C/C(=O)OC)O2)O1.

What is the InChIKey of methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate?

The InChIKey is JIKAUIRADDWPHA-CUJBWACRSA-N. The full InChI is InChI=1S/C38H56O10/c1-10-11-21-37(34(46-31(7)40)18-14-27(3)25-36(42)44-9)23-24-38(48-37)22-20-29(5)33(47-38)17-13-26(2)12-16-32(45-30(6)39)28(4)15-19-35(41)43-8/h12-16,18-19,25,28-29,32-34H,10-11,17,20-24H2,1-9H3/b16-12+,18-14+,19-15+,26-13+,27-25+.

What are the key properties of methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate?

methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate has a molecular weight of 672.86 g/mol, XLogP of 7.03, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2E,6E,8E)-5-acetyloxy-10-[2-[(2E,4E)-1-acetyloxy-6-methoxy-4-methyl-6-oxohexa-2,4-dienyl]-2-butyl-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-4,8-dimethyldeca-2,6,8-trienoate is sourced from PubChem (CID 10101002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).