3-methoxy-4-prop-1-en-2-yloxane

C9H16O2 — CID 163535676

IUPAC3-methoxy-4-prop-1-en-2-yloxane
SMILESC=C(C)C1CCOCC1OC
InChIInChI=1S/C9H16O2/c1-7(2)8-4-5-11-6-9(8)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyDWTHLEMCLZUKMA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds2

About 3-methoxy-4-prop-1-en-2-yloxane

3-methoxy-4-prop-1-en-2-yloxane (PubChem CID 163535676) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methoxy-4-prop-1-en-2-yloxane.

Molecular Properties

Compound Name3-methoxy-4-prop-1-en-2-yloxane
PubChem CID163535676
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methoxy-4-prop-1-en-2-yloxane
SMILESC=C(C)C1CCOCC1OC
InChIInChI=1S/C9H16O2/c1-7(2)8-4-5-11-6-9(8)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyDWTHLEMCLZUKMA-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
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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Related Compounds

(3R,4S)-4-prop-1-en-2-yloxan-3-ol
CID 14982330
(3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane
CID 12039541
4-chloro-3-methoxyoxane
CID 130632423
ethane;3-methoxy-4-methyloxane
CID 143656491
CID 170573296
CID 170573296
1-(3-methoxyoxan-4-yl)propan-1-ol
CID 130723846
(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
N-[(3R)-4-methoxyoxan-3-yl]methanimine
CID 158130238
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
CID 131101922
(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
CID 178190292

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-1-en-2-yloxane?
The IUPAC name of 3-methoxy-4-prop-1-en-2-yloxane (CID 163535676) is 3-methoxy-4-prop-1-en-2-yloxane.
What is the SMILES notation for 3-methoxy-4-prop-1-en-2-yloxane?
The canonical SMILES for 3-methoxy-4-prop-1-en-2-yloxane is C=C(C)C1CCOCC1OC.
What is the InChIKey of 3-methoxy-4-prop-1-en-2-yloxane?
The InChIKey is DWTHLEMCLZUKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)8-4-5-11-6-9(8)10-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 3-methoxy-4-prop-1-en-2-yloxane?
3-methoxy-4-prop-1-en-2-yloxane has a molecular weight of 156.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-1-en-2-yloxane is sourced from PubChem (CID 163535676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).