1-methoxy-4-methyl-3-methylidenepentane

C8H16O — CID 142483581

IUPAC1-methoxy-4-methyl-3-methylidenepentane
SMILESC=C(CCOC)C(C)C
InChIInChI=1S/C8H16O/c1-7(2)8(3)5-6-9-4/h7H,3,5-6H2,1-2,4H3
InChIKeyWZVMEVOKNYWJQI-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.24
Rot. Bonds4

About 1-methoxy-4-methyl-3-methylidenepentane

1-methoxy-4-methyl-3-methylidenepentane (PubChem CID 142483581) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-methoxy-4-methyl-3-methylidenepentane.

Molecular Properties

Compound Name1-methoxy-4-methyl-3-methylidenepentane
PubChem CID142483581
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-methoxy-4-methyl-3-methylidenepentane
SMILESC=C(CCOC)C(C)C
InChIInChI=1S/C8H16O/c1-7(2)8(3)5-6-9-4/h7H,3,5-6H2,1-2,4H3
InChIKeyWZVMEVOKNYWJQI-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 1-methoxy-4-methyl-3-methylidenepentane?
The IUPAC name of 1-methoxy-4-methyl-3-methylidenepentane (CID 142483581) is 1-methoxy-4-methyl-3-methylidenepentane.
What is the SMILES notation for 1-methoxy-4-methyl-3-methylidenepentane?
The canonical SMILES for 1-methoxy-4-methyl-3-methylidenepentane is C=C(CCOC)C(C)C.
What is the InChIKey of 1-methoxy-4-methyl-3-methylidenepentane?
The InChIKey is WZVMEVOKNYWJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)8(3)5-6-9-4/h7H,3,5-6H2,1-2,4H3.
What are the key properties of 1-methoxy-4-methyl-3-methylidenepentane?
1-methoxy-4-methyl-3-methylidenepentane 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 1-methoxy-4-methyl-3-methylidenepentane is sourced from PubChem (CID 142483581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).