1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol

C13H26O4 — CID 114622105

IUPAC1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H26O4/c1-11(2)8-9(12(3,4)17-11)13(5,14)10(15-6)16-7/h9-10,14H,8H2,1-7H3
InChIKeySAJONJYQEAEDMN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds4

About 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol

1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol (PubChem CID 114622105) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol
PubChem CID114622105
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H26O4/c1-11(2)8-9(12(3,4)17-11)13(5,14)10(15-6)16-7/h9-10,14H,8H2,1-7H3
InChIKeySAJONJYQEAEDMN-UHFFFAOYSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
CID 114622133
methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate
CID 79933585
4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
CID 114624355
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine
CID 114622277
N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624230
2-cyclopropyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622749
2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114624518
1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine
CID 114622286
4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624231
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 103456074
4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
CID 105132000

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol (CID 114622105) is 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol is COC(OC)C(C)(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol?
The InChIKey is SAJONJYQEAEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-11(2)8-9(12(3,4)17-11)13(5,14)10(15-6)16-7/h9-10,14H,8H2,1-7H3.
What are the key properties of 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol?
1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol is sourced from PubChem (CID 114622105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).