1-methoxy-2,4-dimethylcyclohexa-1,3-diene

C9H14O — CID 13418673

IUPAC1-methoxy-2,4-dimethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C=C(C)CC1
InChIInChI=1S/C9H14O/c1-7-4-5-9(10-3)8(2)6-7/h6H,4-5H2,1-3H3
InChIKeyWRRMOUIATDHJAJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds1

About 1-methoxy-2,4-dimethylcyclohexa-1,3-diene

1-methoxy-2,4-dimethylcyclohexa-1,3-diene (PubChem CID 13418673) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methoxy-2,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-2,4-dimethylcyclohexa-1,3-diene
PubChem CID13418673
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-methoxy-2,4-dimethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C=C(C)CC1
InChIInChI=1S/C9H14O/c1-7-4-5-9(10-3)8(2)6-7/h6H,4-5H2,1-3H3
InChIKeyWRRMOUIATDHJAJ-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-2,4-dimethylcyclohexa-1,3-diene (CID 13418673) is 1-methoxy-2,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-2,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-2,4-dimethylcyclohexa-1,3-diene is COC1=C(C)C=C(C)CC1.
What is the InChIKey of 1-methoxy-2,4-dimethylcyclohexa-1,3-diene?
The InChIKey is WRRMOUIATDHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-4-5-9(10-3)8(2)6-7/h6H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-2,4-dimethylcyclohexa-1,3-diene?
1-methoxy-2,4-dimethylcyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 13418673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).