(4Z)-4-(methoxymethylidene)-2,2-dimethyloxane

C9H16O2 — CID 91827950

IUPAC(4Z)-4-(methoxymethylidene)-2,2-dimethyloxane
SMILESCO/C=C1/CCOC(C)(C)C1
InChIInChI=1S/C9H16O2/c1-9(2)6-8(7-10-3)4-5-11-9/h7H,4-6H2,1-3H3/b8-7-
InChIKeyRCMCALCRPHTCHU-FPLPWBNLSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds1

About (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane

(4Z)-4-(methoxymethylidene)-2,2-dimethyloxane (PubChem CID 91827950) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)-2,2-dimethyloxane
PubChem CID91827950
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4Z)-4-(methoxymethylidene)-2,2-dimethyloxane
SMILESCO/C=C1/CCOC(C)(C)C1
InChIInChI=1S/C9H16O2/c1-9(2)6-8(7-10-3)4-5-11-9/h7H,4-6H2,1-3H3/b8-7-
InChIKeyRCMCALCRPHTCHU-FPLPWBNLSA-N
XLogP2.11
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 ≤ 52.11
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 (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane?
The IUPAC name of (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane (CID 91827950) is (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane?
The canonical SMILES for (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane is CO/C=C1/CCOC(C)(C)C1.
What is the InChIKey of (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane?
The InChIKey is RCMCALCRPHTCHU-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2)6-8(7-10-3)4-5-11-9/h7H,4-6H2,1-3H3/b8-7-.
What are the key properties of (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane?
(4Z)-4-(methoxymethylidene)-2,2-dimethyloxane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)-2,2-dimethyloxane is sourced from PubChem (CID 91827950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).