1,2-dimethoxy-3-methylidenepentane

C8H16O2 — CID 87932706

IUPAC1,2-dimethoxy-3-methylidenepentane
SMILESC=C(CC)C(COC)OC
InChIInChI=1S/C8H16O2/c1-5-7(2)8(10-4)6-9-3/h8H,2,5-6H2,1,3-4H3
InChIKeyRMPXOJWRRMEYEY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds5

About 1,2-dimethoxy-3-methylidenepentane

1,2-dimethoxy-3-methylidenepentane (PubChem CID 87932706) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methylidenepentane.

Molecular Properties

Compound Name1,2-dimethoxy-3-methylidenepentane
PubChem CID87932706
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1,2-dimethoxy-3-methylidenepentane
SMILESC=C(CC)C(COC)OC
InChIInChI=1S/C8H16O2/c1-5-7(2)8(10-4)6-9-3/h8H,2,5-6H2,1,3-4H3
InChIKeyRMPXOJWRRMEYEY-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2-dimethoxy-3-methylidenepentane?
The IUPAC name of 1,2-dimethoxy-3-methylidenepentane (CID 87932706) is 1,2-dimethoxy-3-methylidenepentane.
What is the SMILES notation for 1,2-dimethoxy-3-methylidenepentane?
The canonical SMILES for 1,2-dimethoxy-3-methylidenepentane is C=C(CC)C(COC)OC.
What is the InChIKey of 1,2-dimethoxy-3-methylidenepentane?
The InChIKey is RMPXOJWRRMEYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(2)8(10-4)6-9-3/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 1,2-dimethoxy-3-methylidenepentane?
1,2-dimethoxy-3-methylidenepentane has a molecular weight of 144.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-methylidenepentane is sourced from PubChem (CID 87932706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).