(2S)-2-ethyl-5-methylideneoxane

C8H14O — CID 118320784

IUPAC(2S)-2-ethyl-5-methylideneoxane
SMILESC=C1CC[C@H](CC)OC1
InChIInChI=1S/C8H14O/c1-3-8-5-4-7(2)6-9-8/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyCCEHSAPOGFTHGX-QMMMGPOBSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About (2S)-2-ethyl-5-methylideneoxane

(2S)-2-ethyl-5-methylideneoxane (PubChem CID 118320784) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S)-2-ethyl-5-methylideneoxane.

Molecular Properties

Compound Name(2S)-2-ethyl-5-methylideneoxane
PubChem CID118320784
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S)-2-ethyl-5-methylideneoxane
SMILESC=C1CC[C@H](CC)OC1
InChIInChI=1S/C8H14O/c1-3-8-5-4-7(2)6-9-8/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyCCEHSAPOGFTHGX-QMMMGPOBSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-5-methylideneoxane?
The IUPAC name of (2S)-2-ethyl-5-methylideneoxane (CID 118320784) is (2S)-2-ethyl-5-methylideneoxane.
What is the SMILES notation for (2S)-2-ethyl-5-methylideneoxane?
The canonical SMILES for (2S)-2-ethyl-5-methylideneoxane is C=C1CC[C@H](CC)OC1.
What is the InChIKey of (2S)-2-ethyl-5-methylideneoxane?
The InChIKey is CCEHSAPOGFTHGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-5-4-7(2)6-9-8/h8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-ethyl-5-methylideneoxane?
(2S)-2-ethyl-5-methylideneoxane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-5-methylideneoxane is sourced from PubChem (CID 118320784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).