4-methoxy-1-methylcyclohepta-1,3,5-triene

C9H12O — CID 91084913

IUPAC4-methoxy-1-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC=C(C)CC=C1
InChIInChI=1S/C9H12O/c1-8-4-3-5-9(10-2)7-6-8/h3,5-7H,4H2,1-2H3
InChIKeyMWZGPTVRNQBNJV-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.42
Rot. Bonds1

About 4-methoxy-1-methylcyclohepta-1,3,5-triene

4-methoxy-1-methylcyclohepta-1,3,5-triene (PubChem CID 91084913) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-methoxy-1-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-methoxy-1-methylcyclohepta-1,3,5-triene
PubChem CID91084913
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-methoxy-1-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC=C(C)CC=C1
InChIInChI=1S/C9H12O/c1-8-4-3-5-9(10-2)7-6-8/h3,5-7H,4H2,1-2H3
InChIKeyMWZGPTVRNQBNJV-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 12703126
CID 12703126
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4-bromo-1-methylcyclohepta-1,3,5-triene;ethane
CID 145346166
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanone
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1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
CID 153384449
(4E)-5-[(4-methylcyclohepta-1,3,6-trien-1-yl)oxymethyl]-1-azacycloocta-1,4,6,7-tetraene
CID 142207421
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-ethoxy-2-methoxyethane;4-methylcyclohepta-1,3,6-trien-1-ol
CID 143041041

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylcyclohepta-1,3,5-triene?
The IUPAC name of 4-methoxy-1-methylcyclohepta-1,3,5-triene (CID 91084913) is 4-methoxy-1-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 4-methoxy-1-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 4-methoxy-1-methylcyclohepta-1,3,5-triene is COC1=CC=C(C)CC=C1.
What is the InChIKey of 4-methoxy-1-methylcyclohepta-1,3,5-triene?
The InChIKey is MWZGPTVRNQBNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8-4-3-5-9(10-2)7-6-8/h3,5-7H,4H2,1-2H3.
What are the key properties of 4-methoxy-1-methylcyclohepta-1,3,5-triene?
4-methoxy-1-methylcyclohepta-1,3,5-triene has a molecular weight of 136.19 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 91084913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).