(2S,4R)-2-ethenyl-4-methyloxane

C8H14O — CID 138550943

IUPAC(2S,4R)-2-ethenyl-4-methyloxane
SMILESC=C[C@@H]1C[C@H](C)CCO1
InChIInChI=1S/C8H14O/c1-3-8-6-7(2)4-5-9-8/h3,7-8H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyJRQRZKSAUPVZCR-HTQZYQBOSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About (2S,4R)-2-ethenyl-4-methyloxane

(2S,4R)-2-ethenyl-4-methyloxane (PubChem CID 138550943) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,4R)-2-ethenyl-4-methyloxane.

Molecular Properties

Compound Name(2S,4R)-2-ethenyl-4-methyloxane
PubChem CID138550943
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,4R)-2-ethenyl-4-methyloxane
SMILESC=C[C@@H]1C[C@H](C)CCO1
InChIInChI=1S/C8H14O/c1-3-8-6-7(2)4-5-9-8/h3,7-8H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyJRQRZKSAUPVZCR-HTQZYQBOSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
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

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2,5-Diethenyltetrahydro-2H-pyran
CID 33151
Rose oxide, trans-(+)-
CID 1712086
3,6-Diethenyltetrahydro-2-methyl-2H-pyran
CID 4417734
2-Ethenyl-6-methyloxane
CID 12277932
6-Ethenyl-2,2-dimethyloxane
CID 13547826
Methyl-2-vinyltetra-hydropyran
CID 69533161
(2S,6S)-2-ethenyl-6-methyloxane
CID 89328800
2,3-Bis(1-fluoroethenyl)-4-methyloxane
CID 121328499

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethenyl-4-methyloxane?
The IUPAC name of (2S,4R)-2-ethenyl-4-methyloxane (CID 138550943) is (2S,4R)-2-ethenyl-4-methyloxane.
What is the SMILES notation for (2S,4R)-2-ethenyl-4-methyloxane?
The canonical SMILES for (2S,4R)-2-ethenyl-4-methyloxane is C=C[C@@H]1C[C@H](C)CCO1.
What is the InChIKey of (2S,4R)-2-ethenyl-4-methyloxane?
The InChIKey is JRQRZKSAUPVZCR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-6-7(2)4-5-9-8/h3,7-8H,1,4-6H2,2H3/t7-,8-/m1/s1.
What are the key properties of (2S,4R)-2-ethenyl-4-methyloxane?
(2S,4R)-2-ethenyl-4-methyloxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethenyl-4-methyloxane is sourced from PubChem (CID 138550943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).