3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol

C12H24O3 — CID 116751875

IUPAC3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
SMILESCCC(C)(OC)C(O)CC1CCOCC1
InChIInChI=1S/C12H24O3/c1-4-12(2,14-3)11(13)9-10-5-7-15-8-6-10/h10-11,13H,4-9H2,1-3H3
InChIKeyUEANANPHGCBGTC-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds5

About 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol

3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol (PubChem CID 116751875) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
PubChem CID116751875
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
SMILESCCC(C)(OC)C(O)CC1CCOCC1
InChIInChI=1S/C12H24O3/c1-4-12(2,14-3)11(13)9-10-5-7-15-8-6-10/h10-11,13H,4-9H2,1-3H3
InChIKeyUEANANPHGCBGTC-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

1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944
2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol
CID 116752752
3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
CID 79044827
3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol
CID 63084011
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
CID 115763283
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1-cyclohexyl-3-methylpentane-2,3-diol
CID 103448798
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
CID 115789666

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol (CID 116751875) is 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol is CCC(C)(OC)C(O)CC1CCOCC1.
What is the InChIKey of 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol?
The InChIKey is UEANANPHGCBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-12(2,14-3)11(13)9-10-5-7-15-8-6-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol?
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-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 3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol is sourced from PubChem (CID 116751875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).