(3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane

C10H18O2 — CID 67559536

IUPAC(3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane
SMILESCOC/C=C1/C(C)CCOC1C
InChIInChI=1S/C10H18O2/c1-8-4-7-12-9(2)10(8)5-6-11-3/h5,8-9H,4,6-7H2,1-3H3/b10-5-
InChIKeyNNPMEHHTOOVMQS-YHYXMXQVSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds2

About (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane

(3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane (PubChem CID 67559536) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane.

Molecular Properties

Compound Name(3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane
PubChem CID67559536
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane
SMILESCOC/C=C1/C(C)CCOC1C
InChIInChI=1S/C10H18O2/c1-8-4-7-12-9(2)10(8)5-6-11-3/h5,8-9H,4,6-7H2,1-3H3/b10-5-
InChIKeyNNPMEHHTOOVMQS-YHYXMXQVSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane?
The IUPAC name of (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane (CID 67559536) is (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane.
What is the SMILES notation for (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane?
The canonical SMILES for (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane is COC/C=C1/C(C)CCOC1C.
What is the InChIKey of (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane?
The InChIKey is NNPMEHHTOOVMQS-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-4-7-12-9(2)10(8)5-6-11-3/h5,8-9H,4,6-7H2,1-3H3/b10-5-.
What are the key properties of (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane?
(3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane has a molecular weight of 170.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane is sourced from PubChem (CID 67559536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).