(2S)-4-(methoxymethylidene)-2-methyloxane

C8H14O2 — CID 91203239

IUPAC(2S)-4-(methoxymethylidene)-2-methyloxane
SMILESCOC=C1CCO[C@@H](C)C1
InChIInChI=1S/C8H14O2/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyUSRLOCDIXWKTGB-ZETCQYMHSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds1

About (2S)-4-(methoxymethylidene)-2-methyloxane

(2S)-4-(methoxymethylidene)-2-methyloxane (PubChem CID 91203239) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-4-(methoxymethylidene)-2-methyloxane.

Molecular Properties

Compound Name(2S)-4-(methoxymethylidene)-2-methyloxane
PubChem CID91203239
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2S)-4-(methoxymethylidene)-2-methyloxane
SMILESCOC=C1CCO[C@@H](C)C1
InChIInChI=1S/C8H14O2/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyUSRLOCDIXWKTGB-ZETCQYMHSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
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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Related Compounds

Cyclohexanol, 1-methoxy-3-methylene-, (+-)-
CID 145304
(4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 118366658
(4Z)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 118373698
4-(Methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 123552892
2-methyl-4-methylenetetrahydro-2H-pyran
CID 12338272
2-Ethyl-4-methylideneoxane
CID 12347115
1-(3-Methoxypropoxy)-3-methylidenecyclohexane
CID 91235286
(2S,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 125486220
(2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 125486221
2-Methylhex-1-enoxycyclohexane
CID 57200948
(2S,4Z)-4-(methoxymethylidene)-2-methyloxane
CID 57935993
4-(Methoxymethylidene)-2,6-dimethyloxane
CID 58424345

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(methoxymethylidene)-2-methyloxane?
The IUPAC name of (2S)-4-(methoxymethylidene)-2-methyloxane (CID 91203239) is (2S)-4-(methoxymethylidene)-2-methyloxane.
What is the SMILES notation for (2S)-4-(methoxymethylidene)-2-methyloxane?
The canonical SMILES for (2S)-4-(methoxymethylidene)-2-methyloxane is COC=C1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-4-(methoxymethylidene)-2-methyloxane?
The InChIKey is USRLOCDIXWKTGB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-4-(methoxymethylidene)-2-methyloxane?
(2S)-4-(methoxymethylidene)-2-methyloxane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(methoxymethylidene)-2-methyloxane is sourced from PubChem (CID 91203239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).