4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane

C30H54O6 — CID 122676780

About 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane

4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 122676780) has the molecular formula C30H54O6 and a molecular weight of 510.76 g/mol. Its IUPAC name is 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
• PubChem CID: 122676780
• Molecular Formula: C30H54O6
• Molecular Weight: 510.76 g/mol
• Exact Mass: 510.39
• IUPAC Name: 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
• SMILES: CC1(C)CCC(C2CC(C)(C)CC2COCCCCOCC2OC(C)(C)OC2C2COC(C)(C)O2)C1
• InChI: InChI=1S/C30H54O6/c1-27(2)12-11-21(15-27)23-17-28(3,4)16-22(23)18-31-13-9-10-14-32-19-24-26(36-30(7,8)35-24)25-20-33-29(5,6)34-25/h21-26H,9-20H2,1-8H3
• InChIKey: QAWMXWKVRGLKSD-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.76
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane?

The IUPAC name of 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane (CID 122676780) is 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane.

What is the SMILES notation for 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane?

The canonical SMILES for 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane is CC1(C)CCC(C2CC(C)(C)CC2COCCCCOCC2OC(C)(C)OC2C2COC(C)(C)O2)C1.

What is the InChIKey of 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane?

The InChIKey is QAWMXWKVRGLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O6/c1-27(2)12-11-21(15-27)23-17-28(3,4)16-22(23)18-31-13-9-10-14-32-19-24-26(36-30(7,8)35-24)25-20-33-29(5,6)34-25/h21-26H,9-20H2,1-8H3.

What are the key properties of 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane?

4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 510.76 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[2-(3,3-dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 122676780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).