2-ethoxy-4-methylpentan-3-ol

C8H18O2 — CID 64541763

IUPAC2-ethoxy-4-methylpentan-3-ol
SMILESCCOC(C)C(O)C(C)C
InChIInChI=1S/C8H18O2/c1-5-10-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3
InChIKeyTZHVZXXAOBCFIR-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds4

About 2-ethoxy-4-methylpentan-3-ol

2-ethoxy-4-methylpentan-3-ol (PubChem CID 64541763) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-ethoxy-4-methylpentan-3-ol.

Molecular Properties

Compound Name2-ethoxy-4-methylpentan-3-ol
PubChem CID64541763
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-ethoxy-4-methylpentan-3-ol
SMILESCCOC(C)C(O)C(C)C
InChIInChI=1S/C8H18O2/c1-5-10-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3
InChIKeyTZHVZXXAOBCFIR-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
CID 159597367
CID 159597367
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol
CID 134314881
(2S)-3-ethoxybutan-2-amine
CID 64712582
strontium;1-ethoxyethanol;hydride
CID 174472576
1,3-diethoxy-2-methylpropane-1,3-diol
CID 162410705
(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
1-ethoxyethanol;N-methylmethanamine
CID 18941772
ethanamine;1-ethoxyethanol
CID 20501270

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methylpentan-3-ol?
The IUPAC name of 2-ethoxy-4-methylpentan-3-ol (CID 64541763) is 2-ethoxy-4-methylpentan-3-ol.
What is the SMILES notation for 2-ethoxy-4-methylpentan-3-ol?
The canonical SMILES for 2-ethoxy-4-methylpentan-3-ol is CCOC(C)C(O)C(C)C.
What is the InChIKey of 2-ethoxy-4-methylpentan-3-ol?
The InChIKey is TZHVZXXAOBCFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-10-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 2-ethoxy-4-methylpentan-3-ol?
2-ethoxy-4-methylpentan-3-ol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methylpentan-3-ol is sourced from PubChem (CID 64541763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).