1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene

C10H14O — CID 123509769

IUPAC1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene
SMILESCOCC=CC1=CC=CCC1
InChIInChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-3,5-6,8H,4,7,9H2,1H3
InChIKeyJSDPHMHRGFSAPX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene

1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene (PubChem CID 123509769) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene
PubChem CID123509769
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene
SMILESCOCC=CC1=CC=CCC1
InChIInChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-3,5-6,8H,4,7,9H2,1H3
InChIKeyJSDPHMHRGFSAPX-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene (CID 123509769) is 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene is COCC=CC1=CC=CCC1.
What is the InChIKey of 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene?
The InChIKey is JSDPHMHRGFSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-3,5-6,8H,4,7,9H2,1H3.
What are the key properties of 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene?
1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene has a molecular weight of 150.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyprop-1-enyl)cyclohexa-1,3-diene is sourced from PubChem (CID 123509769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).