5-methoxy-1,5-dipropylcyclohexa-1,3-diene

C13H22O — CID 172766298

IUPAC5-methoxy-1,5-dipropylcyclohexa-1,3-diene
SMILESCCCC1=CC=CC(CCC)(OC)C1
InChIInChI=1S/C13H22O/c1-4-7-12-8-6-10-13(11-12,14-3)9-5-2/h6,8,10H,4-5,7,9,11H2,1-3H3
InChIKeyMIXJGKOZWSLGPB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.86
Rot. Bonds5

About 5-methoxy-1,5-dipropylcyclohexa-1,3-diene

5-methoxy-1,5-dipropylcyclohexa-1,3-diene (PubChem CID 172766298) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-methoxy-1,5-dipropylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methoxy-1,5-dipropylcyclohexa-1,3-diene
PubChem CID172766298
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name5-methoxy-1,5-dipropylcyclohexa-1,3-diene
SMILESCCCC1=CC=CC(CCC)(OC)C1
InChIInChI=1S/C13H22O/c1-4-7-12-8-6-10-13(11-12,14-3)9-5-2/h6,8,10H,4-5,7,9,11H2,1-3H3
InChIKeyMIXJGKOZWSLGPB-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,5-dipropylcyclohexa-1,3-diene?
The IUPAC name of 5-methoxy-1,5-dipropylcyclohexa-1,3-diene (CID 172766298) is 5-methoxy-1,5-dipropylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methoxy-1,5-dipropylcyclohexa-1,3-diene?
The canonical SMILES for 5-methoxy-1,5-dipropylcyclohexa-1,3-diene is CCCC1=CC=CC(CCC)(OC)C1.
What is the InChIKey of 5-methoxy-1,5-dipropylcyclohexa-1,3-diene?
The InChIKey is MIXJGKOZWSLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-7-12-8-6-10-13(11-12,14-3)9-5-2/h6,8,10H,4-5,7,9,11H2,1-3H3.
What are the key properties of 5-methoxy-1,5-dipropylcyclohexa-1,3-diene?
5-methoxy-1,5-dipropylcyclohexa-1,3-diene has a molecular weight of 194.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,5-dipropylcyclohexa-1,3-diene is sourced from PubChem (CID 172766298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).