5-methoxy-5-propylcyclohexa-1,3-diene

C10H16O — CID 67683982

IUPAC5-methoxy-5-propylcyclohexa-1,3-diene
SMILESCCCC1(OC)C=CC=CC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyWXHNHKDXUBQIGL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds3

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

5-methoxy-5-propylcyclohexa-1,3-diene (PubChem CID 67683982) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methoxy-5-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methoxy-5-propylcyclohexa-1,3-diene
PubChem CID67683982
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5-methoxy-5-propylcyclohexa-1,3-diene
SMILESCCCC1(OC)C=CC=CC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyWXHNHKDXUBQIGL-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-propylcyclohexa-1,3-diene?
The IUPAC name of 5-methoxy-5-propylcyclohexa-1,3-diene (CID 67683982) is 5-methoxy-5-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methoxy-5-propylcyclohexa-1,3-diene?
The canonical SMILES for 5-methoxy-5-propylcyclohexa-1,3-diene is CCCC1(OC)C=CC=CC1.
What is the InChIKey of 5-methoxy-5-propylcyclohexa-1,3-diene?
The InChIKey is WXHNHKDXUBQIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 5-methoxy-5-propylcyclohexa-1,3-diene?
5-methoxy-5-propylcyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-propylcyclohexa-1,3-diene is sourced from PubChem (CID 67683982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).