3-ethyl-2-methylheptan-4-ol

C10H22O — CID 23384905

IUPAC3-ethyl-2-methylheptan-4-ol
SMILESCCCC(O)C(CC)C(C)C
InChIInChI=1S/C10H22O/c1-5-7-10(11)9(6-2)8(3)4/h8-11H,5-7H2,1-4H3
InChIKeyLQQOUZSDJLMLRI-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds5

About 3-ethyl-2-methylheptan-4-ol

3-ethyl-2-methylheptan-4-ol (PubChem CID 23384905) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-ethyl-2-methylheptan-4-ol.

Molecular Properties

Compound Name3-ethyl-2-methylheptan-4-ol
PubChem CID23384905
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-ethyl-2-methylheptan-4-ol
SMILESCCCC(O)C(CC)C(C)C
InChIInChI=1S/C10H22O/c1-5-7-10(11)9(6-2)8(3)4/h8-11H,5-7H2,1-4H3
InChIKeyLQQOUZSDJLMLRI-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylheptan-4-ol?
The IUPAC name of 3-ethyl-2-methylheptan-4-ol (CID 23384905) is 3-ethyl-2-methylheptan-4-ol.
What is the SMILES notation for 3-ethyl-2-methylheptan-4-ol?
The canonical SMILES for 3-ethyl-2-methylheptan-4-ol is CCCC(O)C(CC)C(C)C.
What is the InChIKey of 3-ethyl-2-methylheptan-4-ol?
The InChIKey is LQQOUZSDJLMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-10(11)9(6-2)8(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-2-methylheptan-4-ol?
3-ethyl-2-methylheptan-4-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylheptan-4-ol is sourced from PubChem (CID 23384905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).