5-methoxy-4,4-dimethylpent-1-ene

C8H16O — CID 23439498

IUPAC5-methoxy-4,4-dimethylpent-1-ene
SMILESC=CCC(C)(C)COC
InChIInChI=1S/C8H16O/c1-5-6-8(2,3)7-9-4/h5H,1,6-7H2,2-4H3
InChIKeyUSAMFDFWFYBLJD-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.24
Rot. Bonds4

About 5-methoxy-4,4-dimethylpent-1-ene

5-methoxy-4,4-dimethylpent-1-ene (PubChem CID 23439498) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 5-methoxy-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name5-methoxy-4,4-dimethylpent-1-ene
PubChem CID23439498
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name5-methoxy-4,4-dimethylpent-1-ene
SMILESC=CCC(C)(C)COC
InChIInChI=1S/C8H16O/c1-5-6-8(2,3)7-9-4/h5H,1,6-7H2,2-4H3
InChIKeyUSAMFDFWFYBLJD-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.24
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 5-methoxy-4,4-dimethylpent-1-ene?
The IUPAC name of 5-methoxy-4,4-dimethylpent-1-ene (CID 23439498) is 5-methoxy-4,4-dimethylpent-1-ene.
What is the SMILES notation for 5-methoxy-4,4-dimethylpent-1-ene?
The canonical SMILES for 5-methoxy-4,4-dimethylpent-1-ene is C=CCC(C)(C)COC.
What is the InChIKey of 5-methoxy-4,4-dimethylpent-1-ene?
The InChIKey is USAMFDFWFYBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-6-8(2,3)7-9-4/h5H,1,6-7H2,2-4H3.
What are the key properties of 5-methoxy-4,4-dimethylpent-1-ene?
5-methoxy-4,4-dimethylpent-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,4-dimethylpent-1-ene is sourced from PubChem (CID 23439498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).