methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate

C25H40O6 — CID 11396459

About methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate

methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate (PubChem CID 11396459) has the molecular formula C25H40O6 and a molecular weight of 436.59 g/mol. Its IUPAC name is methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

• Compound Name: methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
• PubChem CID: 11396459
• Molecular Formula: C25H40O6
• Molecular Weight: 436.59 g/mol
• Exact Mass: 436.28
• IUPAC Name: methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
• SMILES: C=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(C(C)C)=C1C(=O)OC
• InChI: InChI=1S/C25H40O6/c1-17(2)20-10-11-25(14-31-16-28-6,23(20)24(26)29-7)12-22-18(3)8-9-21(22)19(4)13-30-15-27-5/h10-11,17-18,21-22H,4,8-9,12-16H2,1-3,5-7H3/t18-,21+,22-,25+/m1/s1
• InChIKey: FGGXFNARSZQKGI-WYGBCJSASA-N
• XLogP: 4.52
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.59
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?

The IUPAC name of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate (CID 11396459) is methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate.

What is the SMILES notation for methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?

The canonical SMILES for methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate is C=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(C(C)C)=C1C(=O)OC.

What is the InChIKey of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?

The InChIKey is FGGXFNARSZQKGI-WYGBCJSASA-N. The full InChI is InChI=1S/C25H40O6/c1-17(2)20-10-11-25(14-31-16-28-6,23(20)24(26)29-7)12-22-18(3)8-9-21(22)19(4)13-30-15-27-5/h10-11,17-18,21-22H,4,8-9,12-16H2,1-3,5-7H3/t18-,21+,22-,25+/m1/s1.

What are the key properties of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?

methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate has a molecular weight of 436.59 g/mol, XLogP of 4.52, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 11396459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).