2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol

C12H24O3 — CID 116752752

IUPAC2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol
SMILESCCC(CC)(OC)C(O)C1CCOCC1
InChIInChI=1S/C12H24O3/c1-4-12(5-2,14-3)11(13)10-6-8-15-9-7-10/h10-11,13H,4-9H2,1-3H3
InChIKeyCYDJQZLSJLBGNU-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds5

About 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol

2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol (PubChem CID 116752752) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol
PubChem CID116752752
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol
SMILESCCC(CC)(OC)C(O)C1CCOCC1
InChIInChI=1S/C12H24O3/c1-4-12(5-2,14-3)11(13)10-6-8-15-9-7-10/h10-11,13H,4-9H2,1-3H3
InChIKeyCYDJQZLSJLBGNU-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(oxan-4-yl)butane-1,2-diol
CID 103449502
2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol
CID 79064392
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate
CID 62396778
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
CID 79065730
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752395
methyl 2-[hydroxy(oxan-4-yl)methyl]butanoate
CID 62395274
2-(dimethylamino)-2-ethyl-1-(oxolan-3-yl)butan-1-ol
CID 79061948
2-ethoxy-1-(oxan-4-yl)butan-1-ol
CID 116711020
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
methyl N-[2,2-dimethyl-1-(oxan-4-yl)butyl]carbamate
CID 130436609
1-(oxan-4-yl)-2-propylsulfanylethanol
CID 65129416

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol?
The IUPAC name of 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol (CID 116752752) is 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol is CCC(CC)(OC)C(O)C1CCOCC1.
What is the InChIKey of 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol?
The InChIKey is CYDJQZLSJLBGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-12(5-2,14-3)11(13)10-6-8-15-9-7-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol?
2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol is sourced from PubChem (CID 116752752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).