1-ethoxy-5-methoxy-3-methylpentan-3-ol

C9H20O3 — CID 91161437

IUPAC1-ethoxy-5-methoxy-3-methylpentan-3-ol
SMILESCCOCCC(C)(O)CCOC
InChIInChI=1S/C9H20O3/c1-4-12-8-6-9(2,10)5-7-11-3/h10H,4-8H2,1-3H3
InChIKeyUASFPDLYNNNQEA-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds7

About 1-ethoxy-5-methoxy-3-methylpentan-3-ol

1-ethoxy-5-methoxy-3-methylpentan-3-ol (PubChem CID 91161437) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethoxy-5-methoxy-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-ethoxy-5-methoxy-3-methylpentan-3-ol
PubChem CID91161437
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1-ethoxy-5-methoxy-3-methylpentan-3-ol
SMILESCCOCCC(C)(O)CCOC
InChIInChI=1S/C9H20O3/c1-4-12-8-6-9(2,10)5-7-11-3/h10H,4-8H2,1-3H3
InChIKeyUASFPDLYNNNQEA-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-3-methoxypentan-1-ol
CID 18427202
2-Methyl-4-(3-methylpentan-3-yloxy)butan-2-ol
CID 19602316
3-Ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol
CID 20578015
2-Methyl-4-pentoxybutan-2-ol
CID 20825679
3-Ethoxy-3-methylpentan-1-ol
CID 21463847
3-Methoxy-3-methylpentan-1-ol
CID 21463859
5-Isopropoxy-3-methyl-1-pentanol
CID 21515721
5-(2-Methylpentan-2-yloxy)pentan-1-ol
CID 22169067
3-Ethylpentane-1,3,5-triol
CID 23158892
5-(2-Methylbutan-2-yloxy)pentan-1-ol
CID 53744422
1-Methoxy-3-methylpentan-3-ol
CID 53790034
4-Ethoxy-2,4-dimethylpentan-2-ol
CID 53933498

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methoxy-3-methylpentan-3-ol?
The IUPAC name of 1-ethoxy-5-methoxy-3-methylpentan-3-ol (CID 91161437) is 1-ethoxy-5-methoxy-3-methylpentan-3-ol.
What is the SMILES notation for 1-ethoxy-5-methoxy-3-methylpentan-3-ol?
The canonical SMILES for 1-ethoxy-5-methoxy-3-methylpentan-3-ol is CCOCCC(C)(O)CCOC.
What is the InChIKey of 1-ethoxy-5-methoxy-3-methylpentan-3-ol?
The InChIKey is UASFPDLYNNNQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-4-12-8-6-9(2,10)5-7-11-3/h10H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-5-methoxy-3-methylpentan-3-ol?
1-ethoxy-5-methoxy-3-methylpentan-3-ol has a molecular weight of 176.26 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methoxy-3-methylpentan-3-ol is sourced from PubChem (CID 91161437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).