3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane

C20H39FO3 — CID 167283417

IUPAC3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane
SMILESCCCC(C)(C)OCC1OC(C(C)(C)CCC)C(F)C1OC(C)C
InChIInChI=1S/C20H39FO3/c1-9-11-19(5,6)18-16(21)17(23-14(3)4)15(24-18)13-22-20(7,8)12-10-2/h14-18H,9-13H2,1-8H3
InChIKeyKJTUHYLHIQIELE-UHFFFAOYSA-N
MW346.53 g/mol
LogP5.31
Rot. Bonds10

About 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane

3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane (PubChem CID 167283417) has the molecular formula C20H39FO3 and a molecular weight of 346.53 g/mol. Its IUPAC name is 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane.

Molecular Properties

Compound Name3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane
PubChem CID167283417
Molecular FormulaC20H39FO3
Molecular Weight346.53 g/mol
Exact Mass346.29
IUPAC Name3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane
SMILESCCCC(C)(C)OCC1OC(C(C)(C)CCC)C(F)C1OC(C)C
InChIInChI=1S/C20H39FO3/c1-9-11-19(5,6)18-16(21)17(23-14(3)4)15(24-18)13-22-20(7,8)12-10-2/h14-18H,9-13H2,1-8H3
InChIKeyKJTUHYLHIQIELE-UHFFFAOYSA-N
XLogP5.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane with MolForge

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Related Compounds

(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 153278394
41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecaethoxy-5,10,15,20,25,30,35,40-octakis(2-methylpentan-2-yloxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane
CID 101133824
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
CID 123358235
3,4-bis(2-methylpentan-2-yloxy)oxolane
CID 155451915
2-methyl-2-(2-methylbutoxy)pentane
CID 143988658
6-(hydroxymethyl)-2-(2-octoxypropan-2-yl)-5-propan-2-yloxyoxane-3,4-diol
CID 139397240
2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
CID 134475233
(2R,3R)-4-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
CID 159866983
CID 19591301
CID 19591301
1,1-difluoro-3-(2-methylpentan-2-yl)cyclobutane
CID 126762633
3-(2-methylpentan-2-yl)azetidine
CID 167096507
2-(difluoromethoxy)-2-methylpentane
CID 170269206

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane?
The IUPAC name of 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane (CID 167283417) is 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane.
What is the SMILES notation for 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane?
The canonical SMILES for 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane is CCCC(C)(C)OCC1OC(C(C)(C)CCC)C(F)C1OC(C)C.
What is the InChIKey of 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane?
The InChIKey is KJTUHYLHIQIELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FO3/c1-9-11-19(5,6)18-16(21)17(23-14(3)4)15(24-18)13-22-20(7,8)12-10-2/h14-18H,9-13H2,1-8H3.
What are the key properties of 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane?
3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane has a molecular weight of 346.53 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane is sourced from PubChem (CID 167283417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).