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

C8H16O2 — CID 15596209

IUPAC4,4-dimethoxy-2-methylpent-2-ene
SMILESCOC(C)(C=C(C)C)OC
InChIInChI=1S/C8H16O2/c1-7(2)6-8(3,9-4)10-5/h6H,1-5H3
InChIKeyUMGCQEGXTLAPFY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds3

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

4,4-dimethoxy-2-methylpent-2-ene (PubChem CID 15596209) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methylpent-2-ene.

Molecular Properties

Compound Name4,4-dimethoxy-2-methylpent-2-ene
PubChem CID15596209
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4,4-dimethoxy-2-methylpent-2-ene
SMILESCOC(C)(C=C(C)C)OC
InChIInChI=1S/C8H16O2/c1-7(2)6-8(3,9-4)10-5/h6H,1-5H3
InChIKeyUMGCQEGXTLAPFY-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Citral dimethyl acetal
CID 24191
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene
CID 5352436
Geranial dimethyl acetal
CID 5352435
3,3,6,6-Tetramethoxycyclohexa-1,4-diene
CID 598069
2,6-Octadiene, 1-(methoxymethoxy)-3,7-dimethyl-, (E)-
CID 6365670
2-(1,1-Dimethoxyethyl)cyclohexa-1,3-diene
CID 70338625
3,3-Dimethoxy-6,6-dimethyl-cyclohexa-1,4-diene
CID 586332
4-Methoxy-2,4-dimethylpent-2-ene
CID 13183756
1,4-Cyclohexadiene, 3,3,6,6-tetramethoxy-1-methyl-
CID 10353189
7,7-Dimethoxy-1-methylcyclohepta-1,3,5-triene
CID 85612912
methyl [(Z)-3-methylpent-2-enyl] carbonate
CID 127262279
(2E)-1-(1,1-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
CID 129700043

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-methylpent-2-ene?
The IUPAC name of 4,4-dimethoxy-2-methylpent-2-ene (CID 15596209) is 4,4-dimethoxy-2-methylpent-2-ene.
What is the SMILES notation for 4,4-dimethoxy-2-methylpent-2-ene?
The canonical SMILES for 4,4-dimethoxy-2-methylpent-2-ene is COC(C)(C=C(C)C)OC.
What is the InChIKey of 4,4-dimethoxy-2-methylpent-2-ene?
The InChIKey is UMGCQEGXTLAPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)6-8(3,9-4)10-5/h6H,1-5H3.
What are the key properties of 4,4-dimethoxy-2-methylpent-2-ene?
4,4-dimethoxy-2-methylpent-2-ene has a molecular weight of 144.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methylpent-2-ene is sourced from PubChem (CID 15596209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).