7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene

C11H18O — CID 15818407

IUPAC7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene
SMILESCOC1CC(C)(C)C=CC=C1C
InChIInChI=1S/C11H18O/c1-9-6-5-7-11(2,3)8-10(9)12-4/h5-7,10H,8H2,1-4H3
InChIKeySDCBLDNTCAUZAW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds1

About 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene

7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene (PubChem CID 15818407) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene.

Molecular Properties

Compound Name7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene
PubChem CID15818407
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene
SMILESCOC1CC(C)(C)C=CC=C1C
InChIInChI=1S/C11H18O/c1-9-6-5-7-11(2,3)8-10(9)12-4/h5-7,10H,8H2,1-4H3
InChIKeySDCBLDNTCAUZAW-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene?
The IUPAC name of 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene (CID 15818407) is 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene.
What is the SMILES notation for 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene?
The canonical SMILES for 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene is COC1CC(C)(C)C=CC=C1C.
What is the InChIKey of 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene?
The InChIKey is SDCBLDNTCAUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-6-5-7-11(2,3)8-10(9)12-4/h5-7,10H,8H2,1-4H3.
What are the key properties of 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene?
7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene has a molecular weight of 166.26 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,5,5-trimethylcyclohepta-1,3-diene is sourced from PubChem (CID 15818407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).