[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol

C30H42O4 — CID 140687752

About [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol

[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol (PubChem CID 140687752) has the molecular formula C30H42O4 and a molecular weight of 466.66 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
• PubChem CID: 140687752
• Molecular Formula: C30H42O4
• Molecular Weight: 466.66 g/mol
• Exact Mass: 466.31
• IUPAC Name: [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
• SMILES: C=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C30H42O4/c1-3-4-5-6-7-8-11-16-24(2)28-30(33-23-26-19-14-10-15-20-26)29(27(21-31)34-28)32-22-25-17-12-9-13-18-25/h3,9-10,12-15,17-20,24,27-31H,1,4-8,11,16,21-23H2,2H3/t24?,27-,28-,29-,30-/m1/s1
• InChIKey: JGMQKJUVWYAMQR-URHSQPNTSA-N
• XLogP: 6.47
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.66
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?

The IUPAC name of [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol (CID 140687752) is [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol.

What is the SMILES notation for [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?

The canonical SMILES for [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol is C=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?

The InChIKey is JGMQKJUVWYAMQR-URHSQPNTSA-N. The full InChI is InChI=1S/C30H42O4/c1-3-4-5-6-7-8-11-16-24(2)28-30(33-23-26-19-14-10-15-20-26)29(27(21-31)34-28)32-22-25-17-12-9-13-18-25/h3,9-10,12-15,17-20,24,27-31H,1,4-8,11,16,21-23H2,2H3/t24?,27-,28-,29-,30-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?

[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol has a molecular weight of 466.66 g/mol, XLogP of 6.47, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol is sourced from PubChem (CID 140687752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).