5-(ethoxymethyl)cyclohexa-1,3-diene

C9H14O — CID 23229072

IUPAC5-(ethoxymethyl)cyclohexa-1,3-diene
SMILESCCOCC1C=CC=CC1
InChIInChI=1S/C9H14O/c1-2-10-8-9-6-4-3-5-7-9/h3-6,9H,2,7-8H2,1H3
InChIKeyUGKJSSGMKGTAMJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds3

About 5-(ethoxymethyl)cyclohexa-1,3-diene

5-(ethoxymethyl)cyclohexa-1,3-diene (PubChem CID 23229072) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-(ethoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(ethoxymethyl)cyclohexa-1,3-diene
PubChem CID23229072
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-(ethoxymethyl)cyclohexa-1,3-diene
SMILESCCOCC1C=CC=CC1
InChIInChI=1S/C9H14O/c1-2-10-8-9-6-4-3-5-7-9/h3-6,9H,2,7-8H2,1H3
InChIKeyUGKJSSGMKGTAMJ-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(ethoxymethyl)cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane
CID 141048919
5-propylcyclohexa-1,3-diene
CID 13212987
5-(2-ethoxyheptoxymethyl)cyclohexa-1,3-diene
CID 145008773
cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol
CID 123894512
1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene
CID 90876959
cyclohexa-2,4-dien-1-ylmethyl 4-methylbenzenesulfonate
CID 174450649
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
CID 54481215
cyclopenta-1,3-diene;ethoxyethane
CID 67913877
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
5-(3-methylheptyl)cyclohexa-1,3-diene
CID 23281661

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(ethoxymethyl)cyclohexa-1,3-diene (CID 23229072) is 5-(ethoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(ethoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(ethoxymethyl)cyclohexa-1,3-diene is CCOCC1C=CC=CC1.
What is the InChIKey of 5-(ethoxymethyl)cyclohexa-1,3-diene?
The InChIKey is UGKJSSGMKGTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-10-8-9-6-4-3-5-7-9/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 5-(ethoxymethyl)cyclohexa-1,3-diene?
5-(ethoxymethyl)cyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 23229072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).