4-methoxy-2,3-dimethylpent-2-ene

C8H16O — CID 21134687

IUPAC4-methoxy-2,3-dimethylpent-2-ene
SMILESCOC(C)C(C)=C(C)C
InChIInChI=1S/C8H16O/c1-6(2)7(3)8(4)9-5/h8H,1-5H3
InChIKeyMABNTHHEAOONJJ-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds2

About 4-methoxy-2,3-dimethylpent-2-ene

4-methoxy-2,3-dimethylpent-2-ene (PubChem CID 21134687) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylpent-2-ene.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylpent-2-ene
PubChem CID21134687
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name4-methoxy-2,3-dimethylpent-2-ene
SMILESCOC(C)C(C)=C(C)C
InChIInChI=1S/C8H16O/c1-6(2)7(3)8(4)9-5/h8H,1-5H3
InChIKeyMABNTHHEAOONJJ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Pentene, 4-methoxy-2-methyl-
CID 11029801
Borane, diethyl[1-ethyl-2-(methoxymethyl)-1-butenyl]-, (Z)-
CID 5366257
diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane
CID 134903619
(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene
CID 59078963
Ether, tert-butyl isopropylidenecyclopropyl
CID 544882
diethyl-[(E)-4-(methoxymethyl)hex-3-en-3-yl]borane
CID 101279186
1-Ethoxy-2-propan-2-ylidenecyclopropane
CID 13182550
4-Ethoxy-2-methylpent-2-ene
CID 14939543
4-Methoxy-2-methylhex-2-ene
CID 21719293
2,3,4,5,5-pentamethyl-2H-furan
CID 22910011
4-Methoxy-2,3,5-trimethylhex-2-ene
CID 23385074
2,3,4,5-Tetramethyl-2,5-dihydrofuran
CID 53971774

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylpent-2-ene?
The IUPAC name of 4-methoxy-2,3-dimethylpent-2-ene (CID 21134687) is 4-methoxy-2,3-dimethylpent-2-ene.
What is the SMILES notation for 4-methoxy-2,3-dimethylpent-2-ene?
The canonical SMILES for 4-methoxy-2,3-dimethylpent-2-ene is COC(C)C(C)=C(C)C.
What is the InChIKey of 4-methoxy-2,3-dimethylpent-2-ene?
The InChIKey is MABNTHHEAOONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)7(3)8(4)9-5/h8H,1-5H3.
What are the key properties of 4-methoxy-2,3-dimethylpent-2-ene?
4-methoxy-2,3-dimethylpent-2-ene has a molecular weight of 128.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylpent-2-ene is sourced from PubChem (CID 21134687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).