3-(2-methoxyethenyl)oxane

C8H14O2 — CID 67314451

IUPAC3-(2-methoxyethenyl)oxane
SMILESCOC=CC1CCCOC1
InChIInChI=1S/C8H14O2/c1-9-6-4-8-3-2-5-10-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyNFMRGVIOBRHWNN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds2

About 3-(2-methoxyethenyl)oxane

3-(2-methoxyethenyl)oxane (PubChem CID 67314451) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(2-methoxyethenyl)oxane.

Molecular Properties

Compound Name3-(2-methoxyethenyl)oxane
PubChem CID67314451
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(2-methoxyethenyl)oxane
SMILESCOC=CC1CCCOC1
InChIInChI=1S/C8H14O2/c1-9-6-4-8-3-2-5-10-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyNFMRGVIOBRHWNN-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethenyl)oxolane
CID 67974652
3-[(E)-3-methylbut-1-enyl]oxane
CID 154695436
N-methyl-3-(oxan-3-yl)prop-2-en-1-amine
CID 79346781
(E)-3-[(3R)-oxan-3-yl]prop-2-enenitrile
CID 124508735
(Z)-2-(oxan-3-yl)ethenesulfonyl chloride
CID 117265885
3-[(E)-3-chloro-2-methylprop-1-enyl]oxane
CID 79323120
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
3-methyloxane;oxolane
CID 139878979
3-methyl-4-(oxan-3-yl)but-3-en-2-amine
CID 103091888
1-ethyl-4-(2-methoxyethenyl)cyclohexane
CID 91328086
3-[(E)-3,3-dimethylbut-1-enyl]oxolane
CID 118487558
oxan-3-amine
CID 5200320

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethenyl)oxane?
The IUPAC name of 3-(2-methoxyethenyl)oxane (CID 67314451) is 3-(2-methoxyethenyl)oxane.
What is the SMILES notation for 3-(2-methoxyethenyl)oxane?
The canonical SMILES for 3-(2-methoxyethenyl)oxane is COC=CC1CCCOC1.
What is the InChIKey of 3-(2-methoxyethenyl)oxane?
The InChIKey is NFMRGVIOBRHWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-6-4-8-3-2-5-10-7-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 3-(2-methoxyethenyl)oxane?
3-(2-methoxyethenyl)oxane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethenyl)oxane is sourced from PubChem (CID 67314451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).