1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol

C12H24O3 — CID 65161752

IUPAC1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
SMILESCOCCC(C)(O)CCCC1CCCO1
InChIInChI=1S/C12H24O3/c1-12(13,8-10-14-2)7-3-5-11-6-4-9-15-11/h11,13H,3-10H2,1-2H3
InChIKeyICQGEIRGBVPHDA-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.12
Rot. Bonds7

About 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol

1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol (PubChem CID 65161752) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
PubChem CID65161752
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
SMILESCOCCC(C)(O)CCCC1CCCO1
InChIInChI=1S/C12H24O3/c1-12(13,8-10-14-2)7-3-5-11-6-4-9-15-11/h11,13H,3-10H2,1-2H3
InChIKeyICQGEIRGBVPHDA-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
2-methoxypropan-2-ol;2-[2-(2-methoxypropan-2-yloxy)ethyl]oxolane
CID 142450312
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 83160361
1-(2-methoxyethylamino)-2-methyl-3-(oxolan-2-yl)propan-2-ol
CID 66037769
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol (CID 65161752) is 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol is COCCC(C)(O)CCCC1CCCO1.
What is the InChIKey of 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
The InChIKey is ICQGEIRGBVPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-12(13,8-10-14-2)7-3-5-11-6-4-9-15-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol has a molecular weight of 216.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 65161752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).