2-ethenyl-2-methoxy-3-methyloxane

C9H16O2 — CID 159185549

IUPAC2-ethenyl-2-methoxy-3-methyloxane
SMILESC=CC1(OC)OCCCC1C
InChIInChI=1S/C9H16O2/c1-4-9(10-3)8(2)6-5-7-11-9/h4,8H,1,5-7H2,2-3H3
InChIKeyKNLCNLGWODRBHV-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds2

About 2-ethenyl-2-methoxy-3-methyloxane

2-ethenyl-2-methoxy-3-methyloxane (PubChem CID 159185549) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethenyl-2-methoxy-3-methyloxane.

Molecular Properties

Compound Name2-ethenyl-2-methoxy-3-methyloxane
PubChem CID159185549
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethenyl-2-methoxy-3-methyloxane
SMILESC=CC1(OC)OCCCC1C
InChIInChI=1S/C9H16O2/c1-4-9(10-3)8(2)6-5-7-11-9/h4,8H,1,5-7H2,2-3H3
InChIKeyKNLCNLGWODRBHV-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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

3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
(3S,4R,5S,6S)-3,5-dimethoxy-7-(methoxymethoxy)-4,6-dimethylhept-1-ene
CID 23635077
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
(3R,5R,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241359
(3R,4S,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241381
(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123210808
(3R,4S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123802921
4,5-Bis(ethenyl)-2-methoxy-2,3,3,4-tetramethyloxane
CID 149917855
2-Hex-1-enyl-2-methoxy-3-methyloxane
CID 150187464
3-Ethenyl-2-methoxy-2,3-dimethyloxane
CID 152595536
2-Ethenyl-2-methoxyoxane
CID 158552040

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methoxy-3-methyloxane?
The IUPAC name of 2-ethenyl-2-methoxy-3-methyloxane (CID 159185549) is 2-ethenyl-2-methoxy-3-methyloxane.
What is the SMILES notation for 2-ethenyl-2-methoxy-3-methyloxane?
The canonical SMILES for 2-ethenyl-2-methoxy-3-methyloxane is C=CC1(OC)OCCCC1C.
What is the InChIKey of 2-ethenyl-2-methoxy-3-methyloxane?
The InChIKey is KNLCNLGWODRBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(10-3)8(2)6-5-7-11-9/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-ethenyl-2-methoxy-3-methyloxane?
2-ethenyl-2-methoxy-3-methyloxane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methoxy-3-methyloxane is sourced from PubChem (CID 159185549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).