1-methoxy-3,3,5-trimethylcyclohexene

C10H18O — CID 54507357

IUPAC1-methoxy-3,3,5-trimethylcyclohexene
SMILESCOC1=CC(C)(C)CC(C)C1
InChIInChI=1S/C10H18O/c1-8-5-9(11-4)7-10(2,3)6-8/h7-8H,5-6H2,1-4H3
InChIKeyYGQVOXHOGWEAHH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.97
Rot. Bonds1

About 1-methoxy-3,3,5-trimethylcyclohexene

1-methoxy-3,3,5-trimethylcyclohexene (PubChem CID 54507357) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methoxy-3,3,5-trimethylcyclohexene.

Molecular Properties

Compound Name1-methoxy-3,3,5-trimethylcyclohexene
PubChem CID54507357
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methoxy-3,3,5-trimethylcyclohexene
SMILESCOC1=CC(C)(C)CC(C)C1
InChIInChI=1S/C10H18O/c1-8-5-9(11-4)7-10(2,3)6-8/h7-8H,5-6H2,1-4H3
InChIKeyYGQVOXHOGWEAHH-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,3,5-trimethylcyclohexene?
The IUPAC name of 1-methoxy-3,3,5-trimethylcyclohexene (CID 54507357) is 1-methoxy-3,3,5-trimethylcyclohexene.
What is the SMILES notation for 1-methoxy-3,3,5-trimethylcyclohexene?
The canonical SMILES for 1-methoxy-3,3,5-trimethylcyclohexene is COC1=CC(C)(C)CC(C)C1.
What is the InChIKey of 1-methoxy-3,3,5-trimethylcyclohexene?
The InChIKey is YGQVOXHOGWEAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-5-9(11-4)7-10(2,3)6-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-3,3,5-trimethylcyclohexene?
1-methoxy-3,3,5-trimethylcyclohexene has a molecular weight of 154.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,3,5-trimethylcyclohexene is sourced from PubChem (CID 54507357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).