oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C14H26O3 — CID 114622044

IUPACoxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C2CCCOC2)C(C)(C)O1
InChIInChI=1S/C14H26O3/c1-13(2)8-11(14(3,4)17-13)12(15)10-6-5-7-16-9-10/h10-12,15H,5-9H2,1-4H3
InChIKeyOGLQAIWWLKAMRQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.37
Rot. Bonds2

About oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622044) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Nameoxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622044
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameoxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C2CCCOC2)C(C)(C)O1
InChIInChI=1S/C14H26O3/c1-13(2)8-11(14(3,4)17-13)12(15)10-6-5-7-16-9-10/h10-12,15H,5-9H2,1-4H3
InChIKeyOGLQAIWWLKAMRQ-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136175
(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol
CID 131137680
2-(oxolan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622736
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622899
(2-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136124
(2-methyloxolan-2-yl)-(oxan-3-yl)methanol
CID 107136169
cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623154
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 103345318
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622611
(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622044) is oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)C2CCCOC2)C(C)(C)O1.
What is the InChIKey of oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is OGLQAIWWLKAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-13(2)8-11(14(3,4)17-13)12(15)10-6-5-7-16-9-10/h10-12,15H,5-9H2,1-4H3.
What are the key properties of oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 242.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).