5-methoxy-2-methylcyclohepta-1,3-diene

C9H14O — CID 70331714

IUPAC5-methoxy-2-methylcyclohepta-1,3-diene
SMILESCOC1C=CC(C)=CCC1
InChIInChI=1S/C9H14O/c1-8-4-3-5-9(10-2)7-6-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyJTWQJEQBMKFGJT-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds1

About 5-methoxy-2-methylcyclohepta-1,3-diene

5-methoxy-2-methylcyclohepta-1,3-diene (PubChem CID 70331714) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-methoxy-2-methylcyclohepta-1,3-diene.

Molecular Properties

Compound Name5-methoxy-2-methylcyclohepta-1,3-diene
PubChem CID70331714
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-methoxy-2-methylcyclohepta-1,3-diene
SMILESCOC1C=CC(C)=CCC1
InChIInChI=1S/C9H14O/c1-8-4-3-5-9(10-2)7-6-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyJTWQJEQBMKFGJT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylcyclohepta-1,3-diene?
The IUPAC name of 5-methoxy-2-methylcyclohepta-1,3-diene (CID 70331714) is 5-methoxy-2-methylcyclohepta-1,3-diene.
What is the SMILES notation for 5-methoxy-2-methylcyclohepta-1,3-diene?
The canonical SMILES for 5-methoxy-2-methylcyclohepta-1,3-diene is COC1C=CC(C)=CCC1.
What is the InChIKey of 5-methoxy-2-methylcyclohepta-1,3-diene?
The InChIKey is JTWQJEQBMKFGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-4-3-5-9(10-2)7-6-8/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 5-methoxy-2-methylcyclohepta-1,3-diene?
5-methoxy-2-methylcyclohepta-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylcyclohepta-1,3-diene is sourced from PubChem (CID 70331714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).