3-methoxy-2,4-dimethylpent-1-ene

C8H16O — CID 23384961

IUPAC3-methoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)C(OC)C(C)C
InChIInChI=1S/C8H16O/c1-6(2)8(9-5)7(3)4/h7-8H,1H2,2-5H3
InChIKeyOIHXGCZUCXROHE-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.23
Rot. Bonds3

About 3-methoxy-2,4-dimethylpent-1-ene

3-methoxy-2,4-dimethylpent-1-ene (PubChem CID 23384961) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethylpent-1-ene.

Molecular Properties

Compound Name3-methoxy-2,4-dimethylpent-1-ene
PubChem CID23384961
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-methoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)C(OC)C(C)C
InChIInChI=1S/C8H16O/c1-6(2)8(9-5)7(3)4/h7-8H,1H2,2-5H3
InChIKeyOIHXGCZUCXROHE-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethylpent-1-ene?
The IUPAC name of 3-methoxy-2,4-dimethylpent-1-ene (CID 23384961) is 3-methoxy-2,4-dimethylpent-1-ene.
What is the SMILES notation for 3-methoxy-2,4-dimethylpent-1-ene?
The canonical SMILES for 3-methoxy-2,4-dimethylpent-1-ene is C=C(C)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-2,4-dimethylpent-1-ene?
The InChIKey is OIHXGCZUCXROHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)8(9-5)7(3)4/h7-8H,1H2,2-5H3.
What are the key properties of 3-methoxy-2,4-dimethylpent-1-ene?
3-methoxy-2,4-dimethylpent-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethylpent-1-ene is sourced from PubChem (CID 23384961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).