2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc

C20H37NOZn — CID 162065137

About 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc

2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc (PubChem CID 162065137) has the molecular formula C20H37NOZn and a molecular weight of 372.91 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc
• PubChem CID: 162065137
• Molecular Formula: C20H37NOZn
• Molecular Weight: 372.91 g/mol
• Exact Mass: 371.22
• IUPAC Name: 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc
• SMILES: C=c1cc(C)c(=C(O)C(C)(C)N(C)C)c(C)c1.CC.CCC.[Zn]
• InChI: InChI=1S/C15H23NO.C3H8.C2H6.Zn/c1-10-8-11(2)13(12(3)9-10)14(17)15(4,5)16(6)7;1-3-2;1-2;/h8-9,17H,1H2,2-7H3;3H2,1-2H3;1-2H3
• InChIKey: SYQNYBMCWUPGKS-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.91
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc?

The IUPAC name of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc (CID 162065137) is 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc.

What is the SMILES notation for 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc?

The canonical SMILES for 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc is C=c1cc(C)c(=C(O)C(C)(C)N(C)C)c(C)c1.CC.CCC.[Zn].

What is the InChIKey of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc?

The InChIKey is SYQNYBMCWUPGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C3H8.C2H6.Zn/c1-10-8-11(2)13(12(3)9-10)14(17)15(4,5)16(6)7;1-3-2;1-2;/h8-9,17H,1H2,2-7H3;3H2,1-2H3;1-2H3;.

What are the key properties of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc?

2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc has a molecular weight of 372.91 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;zinc is sourced from PubChem (CID 162065137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).