3-methyl-1-propoxycyclohexene

C10H18O — CID 20523449

IUPAC3-methyl-1-propoxycyclohexene
SMILESCCCOC1=CC(C)CCC1
InChIInChI=1S/C10H18O/c1-3-7-11-10-6-4-5-9(2)8-10/h8-9H,3-7H2,1-2H3
InChIKeyHPIZTYWIGYOMEJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.12
Rot. Bonds3

About 3-methyl-1-propoxycyclohexene

3-methyl-1-propoxycyclohexene (PubChem CID 20523449) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methyl-1-propoxycyclohexene.

Molecular Properties

Compound Name3-methyl-1-propoxycyclohexene
PubChem CID20523449
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methyl-1-propoxycyclohexene
SMILESCCCOC1=CC(C)CCC1
InChIInChI=1S/C10H18O/c1-3-7-11-10-6-4-5-9(2)8-10/h8-9H,3-7H2,1-2H3
InChIKeyHPIZTYWIGYOMEJ-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propoxycyclohexene?
The IUPAC name of 3-methyl-1-propoxycyclohexene (CID 20523449) is 3-methyl-1-propoxycyclohexene.
What is the SMILES notation for 3-methyl-1-propoxycyclohexene?
The canonical SMILES for 3-methyl-1-propoxycyclohexene is CCCOC1=CC(C)CCC1.
What is the InChIKey of 3-methyl-1-propoxycyclohexene?
The InChIKey is HPIZTYWIGYOMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-7-11-10-6-4-5-9(2)8-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-propoxycyclohexene?
3-methyl-1-propoxycyclohexene has a molecular weight of 154.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propoxycyclohexene is sourced from PubChem (CID 20523449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).