(2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane

C9H16O2 — CID 66936926

IUPAC(2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane
SMILESCO/C=C1\C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16O2/c1-7-4-9(6-10-3)5-8(2)11-7/h6-8H,4-5H2,1-3H3/b9-6-/t7-,8+/m0/s1
InChIKeyYMMBLSMXZZFWKV-GCICIJSESA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds1

About (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane

(2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane (PubChem CID 66936926) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane.

Molecular Properties

Compound Name(2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane
PubChem CID66936926
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane
SMILESCO/C=C1\C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16O2/c1-7-4-9(6-10-3)5-8(2)11-7/h6-8H,4-5H2,1-3H3/b9-6-/t7-,8+/m0/s1
InChIKeyYMMBLSMXZZFWKV-GCICIJSESA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane?
The IUPAC name of (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane (CID 66936926) is (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane.
What is the SMILES notation for (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane?
The canonical SMILES for (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane is CO/C=C1\C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane?
The InChIKey is YMMBLSMXZZFWKV-GCICIJSESA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-9(6-10-3)5-8(2)11-7/h6-8H,4-5H2,1-3H3/b9-6-/t7-,8+/m0/s1.
What are the key properties of (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane?
(2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(methoxymethylidene)-2,6-dimethyloxane is sourced from PubChem (CID 66936926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).