3-ethoxy-6-ethyl-2-methyloctan-4-ol

C13H28O2 — CID 116712298

IUPAC3-ethoxy-6-ethyl-2-methyloctan-4-ol
SMILESCCOC(C(C)C)C(O)CC(CC)CC
InChIInChI=1S/C13H28O2/c1-6-11(7-2)9-12(14)13(10(4)5)15-8-3/h10-14H,6-9H2,1-5H3
InChIKeyMSWYUPSEBVCPSY-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.23
Rot. Bonds8

About 3-ethoxy-6-ethyl-2-methyloctan-4-ol

3-ethoxy-6-ethyl-2-methyloctan-4-ol (PubChem CID 116712298) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-ethoxy-6-ethyl-2-methyloctan-4-ol.

Molecular Properties

Compound Name3-ethoxy-6-ethyl-2-methyloctan-4-ol
PubChem CID116712298
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3-ethoxy-6-ethyl-2-methyloctan-4-ol
SMILESCCOC(C(C)C)C(O)CC(CC)CC
InChIInChI=1S/C13H28O2/c1-6-11(7-2)9-12(14)13(10(4)5)15-8-3/h10-14H,6-9H2,1-5H3
InChIKeyMSWYUPSEBVCPSY-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
CID 159597367
CID 159597367
1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712154
strontium;1-ethoxyethanol;hydride
CID 174472576
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
1-ethoxyethanol;N-methylmethanamine
CID 18941772
ethanamine;1-ethoxyethanol
CID 20501270
(3-ethoxy-2,6-dimethyloctan-4-yl)hydrazine
CID 105272508
2-ethoxy-4-methylpentan-3-ol
CID 64541763
1-ethoxybutane-1,3-diol
CID 20870845
6-ethyl-2,3-dimethyldecan-4-ol
CID 114981252

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-ethyl-2-methyloctan-4-ol?
The IUPAC name of 3-ethoxy-6-ethyl-2-methyloctan-4-ol (CID 116712298) is 3-ethoxy-6-ethyl-2-methyloctan-4-ol.
What is the SMILES notation for 3-ethoxy-6-ethyl-2-methyloctan-4-ol?
The canonical SMILES for 3-ethoxy-6-ethyl-2-methyloctan-4-ol is CCOC(C(C)C)C(O)CC(CC)CC.
What is the InChIKey of 3-ethoxy-6-ethyl-2-methyloctan-4-ol?
The InChIKey is MSWYUPSEBVCPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-11(7-2)9-12(14)13(10(4)5)15-8-3/h10-14H,6-9H2,1-5H3.
What are the key properties of 3-ethoxy-6-ethyl-2-methyloctan-4-ol?
3-ethoxy-6-ethyl-2-methyloctan-4-ol has a molecular weight of 216.36 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-ethyl-2-methyloctan-4-ol is sourced from PubChem (CID 116712298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).