(2S,6S)-6-ethyl-2-methyl-3-methylideneoxane

C9H16O — CID 118136919

IUPAC(2S,6S)-6-ethyl-2-methyl-3-methylideneoxane
SMILESC=C1CC[C@H](CC)O[C@H]1C
InChIInChI=1S/C9H16O/c1-4-9-6-5-7(2)8(3)10-9/h8-9H,2,4-6H2,1,3H3/t8-,9-/m0/s1
InChIKeyKBMXNMYURWZCFD-IUCAKERBSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane

(2S,6S)-6-ethyl-2-methyl-3-methylideneoxane (PubChem CID 118136919) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane.

Molecular Properties

Compound Name(2S,6S)-6-ethyl-2-methyl-3-methylideneoxane
PubChem CID118136919
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S,6S)-6-ethyl-2-methyl-3-methylideneoxane
SMILESC=C1CC[C@H](CC)O[C@H]1C
InChIInChI=1S/C9H16O/c1-4-9-6-5-7(2)8(3)10-9/h8-9H,2,4-6H2,1,3H3/t8-,9-/m0/s1
InChIKeyKBMXNMYURWZCFD-IUCAKERBSA-N
XLogP2.52
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 ≤ 52.52
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,6S)-6-ethyl-2-methyl-3-methylideneoxane?
The IUPAC name of (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane (CID 118136919) is (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane.
What is the SMILES notation for (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane?
The canonical SMILES for (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane is C=C1CC[C@H](CC)O[C@H]1C.
What is the InChIKey of (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane?
The InChIKey is KBMXNMYURWZCFD-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9-6-5-7(2)8(3)10-9/h8-9H,2,4-6H2,1,3H3/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane?
(2S,6S)-6-ethyl-2-methyl-3-methylideneoxane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-ethyl-2-methyl-3-methylideneoxane is sourced from PubChem (CID 118136919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).