2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane

C20H36O — CID 59933850

About 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane

2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane (PubChem CID 59933850) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane
• PubChem CID: 59933850
• Molecular Formula: C20H36O
• Molecular Weight: 292.51 g/mol
• Exact Mass: 292.28
• IUPAC Name: 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane
• SMILES: C/C(CCC1OC1(C)C)=C1\CC[C@](C)(C(C)C)[C@H]1C(C)C
• InChI: InChI=1S/C20H36O/c1-13(2)18-16(11-12-20(18,8)14(3)4)15(5)9-10-17-19(6,7)21-17/h13-14,17-18H,9-12H2,1-8H3/b16-15-/t17?,18-,20+/m0/s1
• InChIKey: VGDILPHKTUVKSE-LVPUXREWSA-N
• XLogP: 5.99
• TPSA: 12.53 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	292.51
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane?

The IUPAC name of 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane (CID 59933850) is 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane.

What is the SMILES notation for 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane?

The canonical SMILES for 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane is C/C(CCC1OC1(C)C)=C1\CC[C@](C)(C(C)C)[C@H]1C(C)C.

What is the InChIKey of 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane?

The InChIKey is VGDILPHKTUVKSE-LVPUXREWSA-N. The full InChI is InChI=1S/C20H36O/c1-13(2)18-16(11-12-20(18,8)14(3)4)15(5)9-10-17-19(6,7)21-17/h13-14,17-18H,9-12H2,1-8H3/b16-15-/t17?,18-,20+/m0/s1.

What are the key properties of 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane?

2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane has a molecular weight of 292.51 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[(3Z)-3-[(2R,3R)-3-methyl-2,3-di(propan-2-yl)cyclopentylidene]butyl]oxirane is sourced from PubChem (CID 59933850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).