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

C8H16O — CID 88653280

IUPAC1-methoxy-4,4-dimethylpent-1-ene
SMILESCOC=CCC(C)(C)C
InChIInChI=1S/C8H16O/c1-8(2,3)6-5-7-9-4/h5,7H,6H2,1-4H3
InChIKeyOYPDEDVOOIEUEQ-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds2

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

1-methoxy-4,4-dimethylpent-1-ene (PubChem CID 88653280) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1-methoxy-4,4-dimethylpent-1-ene
PubChem CID88653280
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-methoxy-4,4-dimethylpent-1-ene
SMILESCOC=CCC(C)(C)C
InChIInChI=1S/C8H16O/c1-8(2,3)6-5-7-9-4/h5,7H,6H2,1-4H3
InChIKeyOYPDEDVOOIEUEQ-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethylpent-1-ene?
The IUPAC name of 1-methoxy-4,4-dimethylpent-1-ene (CID 88653280) is 1-methoxy-4,4-dimethylpent-1-ene.
What is the SMILES notation for 1-methoxy-4,4-dimethylpent-1-ene?
The canonical SMILES for 1-methoxy-4,4-dimethylpent-1-ene is COC=CCC(C)(C)C.
What is the InChIKey of 1-methoxy-4,4-dimethylpent-1-ene?
The InChIKey is OYPDEDVOOIEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-8(2,3)6-5-7-9-4/h5,7H,6H2,1-4H3.
What are the key properties of 1-methoxy-4,4-dimethylpent-1-ene?
1-methoxy-4,4-dimethylpent-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-dimethylpent-1-ene is sourced from PubChem (CID 88653280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).