2-ethyl-4-(2-methylpropoxy)butan-1-ol

C10H22O2 — CID 87369659

IUPAC2-ethyl-4-(2-methylpropoxy)butan-1-ol
SMILESCCC(CO)CCOCC(C)C
InChIInChI=1S/C10H22O2/c1-4-10(7-11)5-6-12-8-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyMIZRYSBRCMOWHI-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.07
Rot. Bonds7

About 2-ethyl-4-(2-methylpropoxy)butan-1-ol

2-ethyl-4-(2-methylpropoxy)butan-1-ol (PubChem CID 87369659) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpropoxy)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpropoxy)butan-1-ol
PubChem CID87369659
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-ethyl-4-(2-methylpropoxy)butan-1-ol
SMILESCCC(CO)CCOCC(C)C
InChIInChI=1S/C10H22O2/c1-4-10(7-11)5-6-12-8-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyMIZRYSBRCMOWHI-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpropoxy)butan-1-ol?
The IUPAC name of 2-ethyl-4-(2-methylpropoxy)butan-1-ol (CID 87369659) is 2-ethyl-4-(2-methylpropoxy)butan-1-ol.
What is the SMILES notation for 2-ethyl-4-(2-methylpropoxy)butan-1-ol?
The canonical SMILES for 2-ethyl-4-(2-methylpropoxy)butan-1-ol is CCC(CO)CCOCC(C)C.
What is the InChIKey of 2-ethyl-4-(2-methylpropoxy)butan-1-ol?
The InChIKey is MIZRYSBRCMOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-10(7-11)5-6-12-8-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-4-(2-methylpropoxy)butan-1-ol?
2-ethyl-4-(2-methylpropoxy)butan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpropoxy)butan-1-ol is sourced from PubChem (CID 87369659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).