5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol

C15H29FO3 — CID 155151570

IUPAC5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol
SMILESCC(C)CCOCC1OC(C(C)(C)C)C(C)(F)C1O
InChIInChI=1S/C15H29FO3/c1-10(2)7-8-18-9-11-12(17)15(6,16)13(19-11)14(3,4)5/h10-13,17H,7-9H2,1-6H3
InChIKeyAOXJYCBDNLFMAY-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.95
Rot. Bonds5

About 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol

5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol (PubChem CID 155151570) has the molecular formula C15H29FO3 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol
PubChem CID155151570
Molecular FormulaC15H29FO3
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol
SMILESCC(C)CCOCC1OC(C(C)(C)C)C(C)(F)C1O
InChIInChI=1S/C15H29FO3/c1-10(2)7-8-18-9-11-12(17)15(6,16)13(19-11)14(3,4)5/h10-13,17H,7-9H2,1-6H3
InChIKeyAOXJYCBDNLFMAY-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
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 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol?
The IUPAC name of 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol (CID 155151570) is 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol?
The canonical SMILES for 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol is CC(C)CCOCC1OC(C(C)(C)C)C(C)(F)C1O.
What is the InChIKey of 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol?
The InChIKey is AOXJYCBDNLFMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO3/c1-10(2)7-8-18-9-11-12(17)15(6,16)13(19-11)14(3,4)5/h10-13,17H,7-9H2,1-6H3.
What are the key properties of 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol?
5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol has a molecular weight of 276.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-fluoro-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol is sourced from PubChem (CID 155151570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).