2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane

C20H40O3 — CID 537380

IUPAC2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane
SMILESCCCCCCCCCCCCCCOCC1COC(C)(C)O1
InChIInChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-18-22-20(2,3)23-19/h19H,4-18H2,1-3H3
InChIKeyZHSOVDLRHUKCPP-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.86
Rot. Bonds15

About 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane

2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane (PubChem CID 537380) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane
PubChem CID537380
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane
SMILESCCCCCCCCCCCCCCOCC1COC(C)(C)O1
InChIInChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-18-22-20(2,3)23-19/h19H,4-18H2,1-3H3
InChIKeyZHSOVDLRHUKCPP-UHFFFAOYSA-N
XLogP5.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane (CID 537380) is 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane is CCCCCCCCCCCCCCOCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane?
The InChIKey is ZHSOVDLRHUKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-18-22-20(2,3)23-19/h19H,4-18H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane?
2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane has a molecular weight of 328.54 g/mol, XLogP of 5.86, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(tetradecoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 537380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).