(Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid

C27H52O4Si — CID 70601128

About (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid

(Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid (PubChem CID 70601128) has the molecular formula C27H52O4Si and a molecular weight of 468.80 g/mol. Its IUPAC name is (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

• Compound Name: (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid
• PubChem CID: 70601128
• Molecular Formula: C27H52O4Si
• Molecular Weight: 468.80 g/mol
• Exact Mass: 468.36
• IUPAC Name: (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid
• SMILES: CCCCC(C)(C)C(CCC1CC[C@@H](O)C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)C
• InChI: InChI=1S/C27H52O4Si/c1-8-9-20-27(4,5)25(31-32(6,7)21(2)3)19-17-22-16-18-24(28)23(22)14-12-10-11-13-15-26(29)30/h10,12,21-25,28H,8-9,11,13-20H2,1-7H3,(H,29,30)/b12-10-/t22?,23?,24-,25?/m1/s1
• InChIKey: PGZYRZVXZXCUTR-SPCSQVBMSA-N
• XLogP: 7.57
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.80
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid?

The IUPAC name of (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid (CID 70601128) is (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid.

What is the SMILES notation for (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid?

The canonical SMILES for (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid is CCCCC(C)(C)C(CCC1CC[C@@H](O)C1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)C.

What is the InChIKey of (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid?

The InChIKey is PGZYRZVXZXCUTR-SPCSQVBMSA-N. The full InChI is InChI=1S/C27H52O4Si/c1-8-9-20-27(4,5)25(31-32(6,7)21(2)3)19-17-22-16-18-24(28)23(22)14-12-10-11-13-15-26(29)30/h10,12,21-25,28H,8-9,11,13-20H2,1-7H3,(H,29,30)/b12-10-/t22?,23?,24-,25?/m1/s1.

What are the key properties of (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid?

(Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 468.80 g/mol, XLogP of 7.57, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(5R)-2-[3-[dimethyl(propan-2-yl)silyl]oxy-4,4-dimethyloctyl]-5-hydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70601128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).