1,5-dimethoxy-3,5-dimethylheptan-4-ol

C11H24O3 — CID 116752012

IUPAC1,5-dimethoxy-3,5-dimethylheptan-4-ol
SMILESCCC(C)(OC)C(O)C(C)CCOC
InChIInChI=1S/C11H24O3/c1-6-11(3,14-5)10(12)9(2)7-8-13-4/h9-10,12H,6-8H2,1-5H3
InChIKeyUTSYDBXBUMBYIZ-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.84
Rot. Bonds7

About 1,5-dimethoxy-3,5-dimethylheptan-4-ol

1,5-dimethoxy-3,5-dimethylheptan-4-ol (PubChem CID 116752012) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1,5-dimethoxy-3,5-dimethylheptan-4-ol.

Molecular Properties

Compound Name1,5-dimethoxy-3,5-dimethylheptan-4-ol
PubChem CID116752012
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name1,5-dimethoxy-3,5-dimethylheptan-4-ol
SMILESCCC(C)(OC)C(O)C(C)CCOC
InChIInChI=1S/C11H24O3/c1-6-11(3,14-5)10(12)9(2)7-8-13-4/h9-10,12H,6-8H2,1-5H3
InChIKeyUTSYDBXBUMBYIZ-UHFFFAOYSA-N
XLogP1.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol
CID 116752304
4-hydrazinyl-7-methoxy-N,N,3,5-tetramethylheptan-3-amine
CID 105240456
1,5-dimethoxy-3,6,6-trimethylheptan-4-ol
CID 116713153
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
2-tert-butyl-5-methoxy-3-methylpentan-1-ol
CID 116500263
1,5-dimethoxy-N,5-dimethylheptan-4-amine
CID 114857129
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine
CID 107896897
3-methoxy-3-methylpentan-2-amine
CID 116757359
3-methoxy-3-methylnonan-4-ol
CID 116751924
(5-ethyl-1-methoxy-3-methylheptan-4-yl)hydrazine
CID 105337856
5-ethyl-7-methoxy-5-methylheptan-2-ol
CID 123828259

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3,5-dimethylheptan-4-ol?
The IUPAC name of 1,5-dimethoxy-3,5-dimethylheptan-4-ol (CID 116752012) is 1,5-dimethoxy-3,5-dimethylheptan-4-ol.
What is the SMILES notation for 1,5-dimethoxy-3,5-dimethylheptan-4-ol?
The canonical SMILES for 1,5-dimethoxy-3,5-dimethylheptan-4-ol is CCC(C)(OC)C(O)C(C)CCOC.
What is the InChIKey of 1,5-dimethoxy-3,5-dimethylheptan-4-ol?
The InChIKey is UTSYDBXBUMBYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-6-11(3,14-5)10(12)9(2)7-8-13-4/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 1,5-dimethoxy-3,5-dimethylheptan-4-ol?
1,5-dimethoxy-3,5-dimethylheptan-4-ol has a molecular weight of 204.31 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3,5-dimethylheptan-4-ol is sourced from PubChem (CID 116752012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).