[6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol

C16H30F2O3 — CID 71040666

IUPAC[6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol
SMILESCCC(C)(CC)OC1C(CO)OC(C(C)(C)C)C(F)C1F
InChIInChI=1S/C16H30F2O3/c1-7-16(6,8-2)21-13-10(9-19)20-14(15(3,4)5)12(18)11(13)17/h10-14,19H,7-9H2,1-6H3
InChIKeyMASGXTBUWXKHHI-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.43
Rot. Bonds5

About [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol

[6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol (PubChem CID 71040666) has the molecular formula C16H30F2O3 and a molecular weight of 308.41 g/mol. Its IUPAC name is [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol
PubChem CID71040666
Molecular FormulaC16H30F2O3
Molecular Weight308.41 g/mol
Exact Mass308.22
IUPAC Name[6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol
SMILESCCC(C)(CC)OC1C(CO)OC(C(C)(C)C)C(F)C1F
InChIInChI=1S/C16H30F2O3/c1-7-16(6,8-2)21-13-10(9-19)20-14(15(3,4)5)12(18)11(13)17/h10-14,19H,7-9H2,1-6H3
InChIKeyMASGXTBUWXKHHI-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6-Trimethyl-6-(2-hydroxy-1-methoxyethyl)tetrahydropyran
CID 15409472
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
CID 59065114
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
CID 59065117
(2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 59065123
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
CID 59065124
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 59065127
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol
CID 59065128
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 59065129
(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol
CID 59065131
(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
CID 59065136
(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol
CID 59065137
(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 59065142

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol?
The IUPAC name of [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol (CID 71040666) is [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol.
What is the SMILES notation for [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol?
The canonical SMILES for [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol is CCC(C)(CC)OC1C(CO)OC(C(C)(C)C)C(F)C1F.
What is the InChIKey of [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol?
The InChIKey is MASGXTBUWXKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2O3/c1-7-16(6,8-2)21-13-10(9-19)20-14(15(3,4)5)12(18)11(13)17/h10-14,19H,7-9H2,1-6H3.
What are the key properties of [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol?
[6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol has a molecular weight of 308.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol is sourced from PubChem (CID 71040666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).