(2S,4R)-2-ethyl-4-methyl-5-methylideneoxane

C9H16O — CID 118136891

IUPAC(2S,4R)-2-ethyl-4-methyl-5-methylideneoxane
SMILESC=C1CO[C@@H](CC)C[C@H]1C
InChIInChI=1S/C9H16O/c1-4-9-5-7(2)8(3)6-10-9/h7,9H,3-6H2,1-2H3/t7-,9+/m1/s1
InChIKeyIZBCUUYUOSCKGL-APPZFPTMSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane

(2S,4R)-2-ethyl-4-methyl-5-methylideneoxane (PubChem CID 118136891) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-4-methyl-5-methylideneoxane
PubChem CID118136891
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S,4R)-2-ethyl-4-methyl-5-methylideneoxane
SMILESC=C1CO[C@@H](CC)C[C@H]1C
InChIInChI=1S/C9H16O/c1-4-9-5-7(2)8(3)6-10-9/h7,9H,3-6H2,1-2H3/t7-,9+/m1/s1
InChIKeyIZBCUUYUOSCKGL-APPZFPTMSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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,4R)-2-ethyl-4-methyl-5-methylideneoxane?
The IUPAC name of (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane (CID 118136891) is (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane.
What is the SMILES notation for (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane?
The canonical SMILES for (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane is C=C1CO[C@@H](CC)C[C@H]1C.
What is the InChIKey of (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane?
The InChIKey is IZBCUUYUOSCKGL-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9-5-7(2)8(3)6-10-9/h7,9H,3-6H2,1-2H3/t7-,9+/m1/s1.
What are the key properties of (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane?
(2S,4R)-2-ethyl-4-methyl-5-methylideneoxane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-4-methyl-5-methylideneoxane is sourced from PubChem (CID 118136891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).