1-methoxy-5,6-dimethylcyclohexene

C9H16O — CID 129151578

IUPAC1-methoxy-5,6-dimethylcyclohexene
SMILESCOC1=CCCC(C)C1C
InChIInChI=1S/C9H16O/c1-7-5-4-6-9(10-3)8(7)2/h6-8H,4-5H2,1-3H3
InChIKeyUKQYAYCSIVWRNJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds1

About 1-methoxy-5,6-dimethylcyclohexene

1-methoxy-5,6-dimethylcyclohexene (PubChem CID 129151578) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methoxy-5,6-dimethylcyclohexene.

Molecular Properties

Compound Name1-methoxy-5,6-dimethylcyclohexene
PubChem CID129151578
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-methoxy-5,6-dimethylcyclohexene
SMILESCOC1=CCCC(C)C1C
InChIInChI=1S/C9H16O/c1-7-5-4-6-9(10-3)8(7)2/h6-8H,4-5H2,1-3H3
InChIKeyUKQYAYCSIVWRNJ-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,6-dimethylcyclohexene?
The IUPAC name of 1-methoxy-5,6-dimethylcyclohexene (CID 129151578) is 1-methoxy-5,6-dimethylcyclohexene.
What is the SMILES notation for 1-methoxy-5,6-dimethylcyclohexene?
The canonical SMILES for 1-methoxy-5,6-dimethylcyclohexene is COC1=CCCC(C)C1C.
What is the InChIKey of 1-methoxy-5,6-dimethylcyclohexene?
The InChIKey is UKQYAYCSIVWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-4-6-9(10-3)8(7)2/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-5,6-dimethylcyclohexene?
1-methoxy-5,6-dimethylcyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,6-dimethylcyclohexene is sourced from PubChem (CID 129151578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).