3-ethoxy-3-ethyl-6-methylnonan-4-ol

C14H30O2 — CID 116752611

IUPAC3-ethoxy-3-ethyl-6-methylnonan-4-ol
SMILESCCCC(C)CC(O)C(CC)(CC)OCC
InChIInChI=1S/C14H30O2/c1-6-10-12(5)11-13(15)14(7-2,8-3)16-9-4/h12-13,15H,6-11H2,1-5H3
InChIKeyABKILHXRESJMQV-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.77
Rot. Bonds9

About 3-ethoxy-3-ethyl-6-methylnonan-4-ol

3-ethoxy-3-ethyl-6-methylnonan-4-ol (PubChem CID 116752611) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-6-methylnonan-4-ol.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-6-methylnonan-4-ol
PubChem CID116752611
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-ethoxy-3-ethyl-6-methylnonan-4-ol
SMILESCCCC(C)CC(O)C(CC)(CC)OCC
InChIInChI=1S/C14H30O2/c1-6-10-12(5)11-13(15)14(7-2,8-3)16-9-4/h12-13,15H,6-11H2,1-5H3
InChIKeyABKILHXRESJMQV-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylamino)-3,6-dimethylnonan-4-ol
CID 79063814
3-ethoxy-3-ethyloct-7-yn-4-ol
CID 116752445
3,6-dimethylnonan-4-ol
CID 56626033
5-ethoxy-5-ethyl-1-methoxyheptan-4-ol
CID 114855109
2-ethoxy-2,5-dimethylheptan-3-ol
CID 116713772
5-methyloctan-3-ol
CID 19931017
1-ethoxy-5-methyloctan-3-ol
CID 105089791
4,10-dimethyltridecan-7-ol
CID 10633137
1-(2-methylpentoxy)ethanol
CID 173285010
1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
4-methoxy-7-methyldecan-5-ol
CID 116711734
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-6-methylnonan-4-ol?
The IUPAC name of 3-ethoxy-3-ethyl-6-methylnonan-4-ol (CID 116752611) is 3-ethoxy-3-ethyl-6-methylnonan-4-ol.
What is the SMILES notation for 3-ethoxy-3-ethyl-6-methylnonan-4-ol?
The canonical SMILES for 3-ethoxy-3-ethyl-6-methylnonan-4-ol is CCCC(C)CC(O)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-6-methylnonan-4-ol?
The InChIKey is ABKILHXRESJMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-6-10-12(5)11-13(15)14(7-2,8-3)16-9-4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-6-methylnonan-4-ol?
3-ethoxy-3-ethyl-6-methylnonan-4-ol has a molecular weight of 230.39 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-6-methylnonan-4-ol is sourced from PubChem (CID 116752611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).