2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol

C13H26O2 — CID 116525112

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1CCC(C)(C)O1
InChIInChI=1S/C13H26O2/c1-5-13(6-2,10-14)9-11-7-8-12(3,4)15-11/h11,14H,5-10H2,1-4H3
InChIKeyXTBIYICQWMKTSB-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.13
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol (PubChem CID 116525112) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
PubChem CID116525112
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1CCC(C)(C)O1
InChIInChI=1S/C13H26O2/c1-5-13(6-2,10-14)9-11-7-8-12(3,4)15-11/h11,14H,5-10H2,1-4H3
InChIKeyXTBIYICQWMKTSB-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-(5-Hydroxy-4,4-dimethylpentyl)-tetrahydrofuran-2-yl]-2,2-dimethylpentan-1-ol
CID 11403838
5-(Oxolan-2-ylmethyl)heptan-2-ol
CID 551274
2,5-Anhydro-1,3-dideoxy-2-nonylpentitol
CID 34713
1,4-Anhydro-3,5-dideoxy-4-ethyl-1-propylpentitol
CID 34728
1,4-Anhydro-3,5-dideoxy-1-ethyl-4-propylpentitol
CID 34729
2-(5,5-Dimethyloxolan-2-yl)ethan-1-ol
CID 11355541
2,8,8-Trimethylnonane-2,7-diol
CID 93692
5-Methyl-6-(oxolan-2-yl)hexan-2-ol
CID 3611923
4-(tert-Butyl)-10-oxabicyclo[5.2.1]decan-4-ol
CID 66553029
4-Hexadecan-2-yloxy-4-methyloctadecan-1-ol
CID 91103185
2-Methyl-4-(8-hydroxynonyl) tetrahydrofuran
CID 129727126
2-(5'-Methyl-2'-tetrahydro-furyl)-2-methylpentan-4-ol
CID 129787740

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol (CID 116525112) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol?
The InChIKey is XTBIYICQWMKTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-13(6-2,10-14)9-11-7-8-12(3,4)15-11/h11,14H,5-10H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol?
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 116525112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).