2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol

C14H28O6 — CID 144740302

IUPAC2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol
SMILESCOC(CC(CC1COC(C)(C)O1)OC(C)(C)O)OC
InChIInChI=1S/C14H28O6/c1-13(2,15)19-10(8-12(16-5)17-6)7-11-9-18-14(3,4)20-11/h10-12,15H,7-9H2,1-6H3
InChIKeyBRIOFTDDYXWKKD-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.65
Rot. Bonds8

About 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol

2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol (PubChem CID 144740302) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol
PubChem CID144740302
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol
SMILESCOC(CC(CC1COC(C)(C)O1)OC(C)(C)O)OC
InChIInChI=1S/C14H28O6/c1-13(2,15)19-10(8-12(16-5)17-6)7-11-9-18-14(3,4)20-11/h10-12,15H,7-9H2,1-6H3
InChIKeyBRIOFTDDYXWKKD-UHFFFAOYSA-N
XLogP1.65
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol?
The IUPAC name of 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol (CID 144740302) is 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol.
What is the SMILES notation for 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol?
The canonical SMILES for 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol is COC(CC(CC1COC(C)(C)O1)OC(C)(C)O)OC.
What is the InChIKey of 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol?
The InChIKey is BRIOFTDDYXWKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c1-13(2,15)19-10(8-12(16-5)17-6)7-11-9-18-14(3,4)20-11/h10-12,15H,7-9H2,1-6H3.
What are the key properties of 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol?
2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol has a molecular weight of 292.37 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethoxybutan-2-yl]oxypropan-2-ol is sourced from PubChem (CID 144740302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).