5-methoxy-2-prop-1-enylcyclohexa-1,3-diene

C10H14O — CID 20975449

IUPAC5-methoxy-2-prop-1-enylcyclohexa-1,3-diene
SMILESCC=CC1=CCC(OC)C=C1
InChIInChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-7,10H,8H2,1-2H3
InChIKeyCEACUXOVVIUXJZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.46
Rot. Bonds2

About 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene

5-methoxy-2-prop-1-enylcyclohexa-1,3-diene (PubChem CID 20975449) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methoxy-2-prop-1-enylcyclohexa-1,3-diene
PubChem CID20975449
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-methoxy-2-prop-1-enylcyclohexa-1,3-diene
SMILESCC=CC1=CCC(OC)C=C1
InChIInChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-7,10H,8H2,1-2H3
InChIKeyCEACUXOVVIUXJZ-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
The IUPAC name of 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene (CID 20975449) is 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
The canonical SMILES for 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene is CC=CC1=CCC(OC)C=C1.
What is the InChIKey of 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
The InChIKey is CEACUXOVVIUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
5-methoxy-2-prop-1-enylcyclohexa-1,3-diene has a molecular weight of 150.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-prop-1-enylcyclohexa-1,3-diene is sourced from PubChem (CID 20975449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).