4-methoxy-2-methylpent-2-ene

C7H14O — CID 11029801

IUPAC4-methoxy-2-methylpent-2-ene
SMILESCOC(C)C=C(C)C
InChIInChI=1S/C7H14O/c1-6(2)5-7(3)8-4/h5,7H,1-4H3
InChIKeyXFPFIBWXMXCRAL-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.99
Rot. Bonds2

About 4-methoxy-2-methylpent-2-ene

4-methoxy-2-methylpent-2-ene (PubChem CID 11029801) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-methoxy-2-methylpent-2-ene.

Molecular Properties

Compound Name4-methoxy-2-methylpent-2-ene
PubChem CID11029801
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name4-methoxy-2-methylpent-2-ene
SMILESCOC(C)C=C(C)C
InChIInChI=1S/C7H14O/c1-6(2)5-7(3)8-4/h5,7H,1-4H3
InChIKeyXFPFIBWXMXCRAL-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.99
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-Methoxypentene-4
CID 5367912
2,5-Dihydro-2,5-dimethylfuran
CID 557796
Furan, 2,5-dihydro-2,2,4-trimethyl-
CID 566136
4,6-Dimethyl-3,6-dihydro-2H-pyran
CID 12338288
3-Ethyl-2,5-dihydrofuran
CID 15825450
Butene, methoxymethyl-
CID 551185
(2R)-2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
CID 10219468
2,3-Dimethyl-2,5-dihydrofuran
CID 11093674
(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
CID 11309546
2-(But-2-en-2-yl)-3-methyl-2,5-dihydrofuran
CID 11446369
2,5-Dihydro-2-methylfuran
CID 12669582
5,6-Dihydro-2H-pyran-3-carbon
CID 13166771

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylpent-2-ene?
The IUPAC name of 4-methoxy-2-methylpent-2-ene (CID 11029801) is 4-methoxy-2-methylpent-2-ene.
What is the SMILES notation for 4-methoxy-2-methylpent-2-ene?
The canonical SMILES for 4-methoxy-2-methylpent-2-ene is COC(C)C=C(C)C.
What is the InChIKey of 4-methoxy-2-methylpent-2-ene?
The InChIKey is XFPFIBWXMXCRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6(2)5-7(3)8-4/h5,7H,1-4H3.
What are the key properties of 4-methoxy-2-methylpent-2-ene?
4-methoxy-2-methylpent-2-ene has a molecular weight of 114.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylpent-2-ene is sourced from PubChem (CID 11029801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).