(2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane

C10H18O — CID 118136920

IUPAC(2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)C[C@H](CC)O[C@@H]1C
InChIInChI=1S/C10H18O/c1-5-10-6-7(2)8(3)9(4)11-10/h7,9-10H,3,5-6H2,1-2,4H3/t7-,9-,10+/m1/s1
InChIKeyQWYZRLNNNKMABE-QNSHHTMESA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane

(2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane (PubChem CID 118136920) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane.

Molecular Properties

Compound Name(2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane
PubChem CID118136920
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)C[C@H](CC)O[C@@H]1C
InChIInChI=1S/C10H18O/c1-5-10-6-7(2)8(3)9(4)11-10/h7,9-10H,3,5-6H2,1-2,4H3/t7-,9-,10+/m1/s1
InChIKeyQWYZRLNNNKMABE-QNSHHTMESA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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 (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane?
The IUPAC name of (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane (CID 118136920) is (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane.
What is the SMILES notation for (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane?
The canonical SMILES for (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane is C=C1[C@H](C)C[C@H](CC)O[C@@H]1C.
What is the InChIKey of (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane?
The InChIKey is QWYZRLNNNKMABE-QNSHHTMESA-N. The full InChI is InChI=1S/C10H18O/c1-5-10-6-7(2)8(3)9(4)11-10/h7,9-10H,3,5-6H2,1-2,4H3/t7-,9-,10+/m1/s1.
What are the key properties of (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane?
(2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane is sourced from PubChem (CID 118136920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).