4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol

C15H27F5O3 — CID 88936041

IUPAC4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol
SMILESCCC(C)OCC(C)(COCC(F)(F)C(F)(F)F)CC(C)(C)O
InChIInChI=1S/C15H27F5O3/c1-6-11(2)23-9-13(5,7-12(3,4)21)8-22-10-14(16,17)15(18,19)20/h11,21H,6-10H2,1-5H3
InChIKeyCKQUGMMSJFFORV-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.18
Rot. Bonds10

About 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol

4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol (PubChem CID 88936041) has the molecular formula C15H27F5O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol.

Molecular Properties

Compound Name4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol
PubChem CID88936041
Molecular FormulaC15H27F5O3
Molecular Weight350.37 g/mol
Exact Mass350.19
IUPAC Name4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol
SMILESCCC(C)OCC(C)(COCC(F)(F)C(F)(F)F)CC(C)(C)O
InChIInChI=1S/C15H27F5O3/c1-6-11(2)23-9-13(5,7-12(3,4)21)8-22-10-14(16,17)15(18,19)20/h11,21H,6-10H2,1-5H3
InChIKeyCKQUGMMSJFFORV-UHFFFAOYSA-N
XLogP4.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol?
The IUPAC name of 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol (CID 88936041) is 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol.
What is the SMILES notation for 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol?
The canonical SMILES for 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol is CCC(C)OCC(C)(COCC(F)(F)C(F)(F)F)CC(C)(C)O.
What is the InChIKey of 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol?
The InChIKey is CKQUGMMSJFFORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F5O3/c1-6-11(2)23-9-13(5,7-12(3,4)21)8-22-10-14(16,17)15(18,19)20/h11,21H,6-10H2,1-5H3.
What are the key properties of 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol?
4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol has a molecular weight of 350.37 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol is sourced from PubChem (CID 88936041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).