6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol

C13H28O2 — CID 167217593

IUPAC6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol
SMILESCCC(CC)(CC(C)CC(C)CO)OC
InChIInChI=1S/C13H28O2/c1-6-13(7-2,15-5)9-11(3)8-12(4)10-14/h11-12,14H,6-10H2,1-5H3
InChIKeyXVYXQGIUGQUNHH-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.24
Rot. Bonds8

About 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol

6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol (PubChem CID 167217593) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol.

Molecular Properties

Compound Name6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol
PubChem CID167217593
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol
SMILESCCC(CC)(CC(C)CC(C)CO)OC
InChIInChI=1S/C13H28O2/c1-6-13(7-2,15-5)9-11(3)8-12(4)10-14/h11-12,14H,6-10H2,1-5H3
InChIKeyXVYXQGIUGQUNHH-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6,8-tetramethyldecane-1,8-diol
CID 87893087
2,4-dimethylpentane-1,5-diol
CID 10964552
4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
2-ethyl-2-methoxy-4-methylhexan-1-amine
CID 66070312
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
2,4,5,5,7-pentamethyloctan-1-ol
CID 57192301
2,2-dimethoxy-3-methylbutan-1-ol
CID 57218658
6,7-dibromo-2,4-dimethylheptan-1-ol
CID 18921063
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
CID 129322484
2,4-dimethylheptane-1,7-diol
CID 175358767

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol?
The IUPAC name of 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol (CID 167217593) is 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol.
What is the SMILES notation for 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol?
The canonical SMILES for 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol is CCC(CC)(CC(C)CC(C)CO)OC.
What is the InChIKey of 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol?
The InChIKey is XVYXQGIUGQUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-13(7-2,15-5)9-11(3)8-12(4)10-14/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol?
6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol has a molecular weight of 216.36 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol is sourced from PubChem (CID 167217593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).