4,5-dimethoxy-2-methylpent-2-ene

C8H16O2 — CID 12723436

IUPAC4,5-dimethoxy-2-methylpent-2-ene
SMILESCOCC(C=C(C)C)OC
InChIInChI=1S/C8H16O2/c1-7(2)5-8(10-4)6-9-3/h5,8H,6H2,1-4H3
InChIKeyBLRCKORZPPDHJR-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds4

About 4,5-dimethoxy-2-methylpent-2-ene

4,5-dimethoxy-2-methylpent-2-ene (PubChem CID 12723436) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methylpent-2-ene.

Molecular Properties

Compound Name4,5-dimethoxy-2-methylpent-2-ene
PubChem CID12723436
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4,5-dimethoxy-2-methylpent-2-ene
SMILESCOCC(C=C(C)C)OC
InChIInChI=1S/C8H16O2/c1-7(2)5-8(10-4)6-9-3/h5,8H,6H2,1-4H3
InChIKeyBLRCKORZPPDHJR-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 4,5-dimethoxy-2-methylpent-2-ene?
The IUPAC name of 4,5-dimethoxy-2-methylpent-2-ene (CID 12723436) is 4,5-dimethoxy-2-methylpent-2-ene.
What is the SMILES notation for 4,5-dimethoxy-2-methylpent-2-ene?
The canonical SMILES for 4,5-dimethoxy-2-methylpent-2-ene is COCC(C=C(C)C)OC.
What is the InChIKey of 4,5-dimethoxy-2-methylpent-2-ene?
The InChIKey is BLRCKORZPPDHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)5-8(10-4)6-9-3/h5,8H,6H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-methylpent-2-ene?
4,5-dimethoxy-2-methylpent-2-ene has a molecular weight of 144.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methylpent-2-ene is sourced from PubChem (CID 12723436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).