2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane

C11H20O3 — CID 10081507

IUPAC2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane
SMILESCOC/C=C\CC1CCCOC1OC
InChIInChI=1S/C11H20O3/c1-12-8-4-3-6-10-7-5-9-14-11(10)13-2/h3-4,10-11H,5-9H2,1-2H3/b4-3-
InChIKeyHYNUPQJSHNXXCJ-ARJAWSKDSA-N
MW200.28 g/mol
LogP1.98
Rot. Bonds5

About 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane

2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane (PubChem CID 10081507) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane.

Molecular Properties

Compound Name2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane
PubChem CID10081507
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane
SMILESCOC/C=C\CC1CCCOC1OC
InChIInChI=1S/C11H20O3/c1-12-8-4-3-6-10-7-5-9-14-11(10)13-2/h3-4,10-11H,5-9H2,1-2H3/b4-3-
InChIKeyHYNUPQJSHNXXCJ-ARJAWSKDSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
2-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116735
2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane
CID 11118498
4-(Diethoxymethyl)cyclohexene
CID 227857
2H-Pyran, 2-[(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]tetrahydro-
CID 558950
2-[(2S)-2-methylhept-6-enoxy]oxane
CID 11252841
(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 101228533
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
5-(2,5-Dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 134854473
2-Cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane
CID 134937770
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane?
The IUPAC name of 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane (CID 10081507) is 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane.
What is the SMILES notation for 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane?
The canonical SMILES for 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane is COC/C=C\CC1CCCOC1OC.
What is the InChIKey of 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane?
The InChIKey is HYNUPQJSHNXXCJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H20O3/c1-12-8-4-3-6-10-7-5-9-14-11(10)13-2/h3-4,10-11H,5-9H2,1-2H3/b4-3-.
What are the key properties of 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane?
2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane has a molecular weight of 200.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane is sourced from PubChem (CID 10081507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).