3-ethyl-4-methylpentan-1-ol

C8H18O — CID 549664

IUPAC3-ethyl-4-methylpentan-1-ol
SMILESCCC(CCO)C(C)C
InChIInChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyRWIFVESHBHTZEM-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.05
Rot. Bonds4

About 3-ethyl-4-methylpentan-1-ol

3-ethyl-4-methylpentan-1-ol (PubChem CID 549664) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-ethyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-ethyl-4-methylpentan-1-ol
PubChem CID549664
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-ethyl-4-methylpentan-1-ol
SMILESCCC(CCO)C(C)C
InChIInChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyRWIFVESHBHTZEM-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylpentan-1-ol?
The IUPAC name of 3-ethyl-4-methylpentan-1-ol (CID 549664) is 3-ethyl-4-methylpentan-1-ol.
What is the SMILES notation for 3-ethyl-4-methylpentan-1-ol?
The canonical SMILES for 3-ethyl-4-methylpentan-1-ol is CCC(CCO)C(C)C.
What is the InChIKey of 3-ethyl-4-methylpentan-1-ol?
The InChIKey is RWIFVESHBHTZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-4-methylpentan-1-ol?
3-ethyl-4-methylpentan-1-ol has a molecular weight of 130.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylpentan-1-ol is sourced from PubChem (CID 549664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).