5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene

C12H20O2 — CID 141059011

IUPAC5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
SMILESCOCC(OC)C1(C)C=CC(C)=CC1
InChIInChI=1S/C12H20O2/c1-10-5-7-12(2,8-6-10)11(14-4)9-13-3/h5-7,11H,8-9H2,1-4H3
InChIKeyPYQPPERYERSLOA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds4

About 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene

5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene (PubChem CID 141059011) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
PubChem CID141059011
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
SMILESCOCC(OC)C1(C)C=CC(C)=CC1
InChIInChI=1S/C12H20O2/c1-10-5-7-12(2,8-6-10)11(14-4)9-13-3/h5-7,11H,8-9H2,1-4H3
InChIKeyPYQPPERYERSLOA-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene (CID 141059011) is 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene is COCC(OC)C1(C)C=CC(C)=CC1.
What is the InChIKey of 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
The InChIKey is PYQPPERYERSLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10-5-7-12(2,8-6-10)11(14-4)9-13-3/h5-7,11H,8-9H2,1-4H3.
What are the key properties of 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene has a molecular weight of 196.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethoxyethyl)-2,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 141059011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).