2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol

C14H28O2 — CID 176965231

IUPAC2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol
SMILESCCC(C)(C)C1CCOC(C(C)(O)CC)C1
InChIInChI=1S/C14H28O2/c1-6-13(3,4)11-8-9-16-12(10-11)14(5,15)7-2/h11-12,15H,6-10H2,1-5H3
InChIKeyVFODRIVOWHFQME-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol

2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol (PubChem CID 176965231) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol
PubChem CID176965231
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol
SMILESCCC(C)(C)C1CCOC(C(C)(O)CC)C1
InChIInChI=1S/C14H28O2/c1-6-13(3,4)11-8-9-16-12(10-11)14(5,15)7-2/h11-12,15H,6-10H2,1-5H3
InChIKeyVFODRIVOWHFQME-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
4-(2-methylbutan-2-yl)oxane
CID 91527752
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
(4aR,8aS)-7-(2-methylbutan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 178199486
2-cyclohexylbutan-2-ol
CID 14023764
1-(methylamino)-2-(oxolan-2-yl)propan-2-ol
CID 131118863
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol
CID 62974563
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712484
(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane
CID 141061915
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol (CID 176965231) is 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol is CCC(C)(C)C1CCOC(C(C)(O)CC)C1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol?
The InChIKey is VFODRIVOWHFQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-13(3,4)11-8-9-16-12(10-11)14(5,15)7-2/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol?
2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)oxan-2-yl]butan-2-ol is sourced from PubChem (CID 176965231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).