4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol

C14H28O3 — CID 105132000

IUPAC4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
SMILESCOC(C)CCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28O3/c1-10(16-6)7-8-12(15)11-9-13(2,3)17-14(11,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyGBUHIQZQFCIMDR-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.76
Rot. Bonds5

About 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol

4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol (PubChem CID 105132000) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
PubChem CID105132000
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
SMILESCOC(C)CCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28O3/c1-10(16-6)7-8-12(15)11-9-13(2,3)17-14(11,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyGBUHIQZQFCIMDR-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
5-(Oxolan-2-ylmethyl)heptan-2-ol
CID 551274
3-Furanol, tetrahydro-5-isobutyl-5-methyl-
CID 34708
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-Isobutyl-4-methyltetrahydropyran-4-ol, (2S,4S)-
CID 12104424
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4S)-
CID 12104425

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol?
The IUPAC name of 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol (CID 105132000) is 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol?
The canonical SMILES for 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol is COC(C)CCC(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol?
The InChIKey is GBUHIQZQFCIMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-10(16-6)7-8-12(15)11-9-13(2,3)17-14(11,4)5/h10-12,15H,7-9H2,1-6H3.
What are the key properties of 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol?
4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol is sourced from PubChem (CID 105132000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).