1-ethoxy-3-methylcyclohexa-1,3-diene

C9H14O — CID 21315553

IUPAC1-ethoxy-3-methylcyclohexa-1,3-diene
SMILESCCOC1=CC(C)=CCC1
InChIInChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h5,7H,3-4,6H2,1-2H3
InChIKeyAUOCXAVLVSGREY-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds2

About 1-ethoxy-3-methylcyclohexa-1,3-diene

1-ethoxy-3-methylcyclohexa-1,3-diene (PubChem CID 21315553) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethoxy-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-3-methylcyclohexa-1,3-diene
PubChem CID21315553
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-ethoxy-3-methylcyclohexa-1,3-diene
SMILESCCOC1=CC(C)=CCC1
InChIInChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h5,7H,3-4,6H2,1-2H3
InChIKeyAUOCXAVLVSGREY-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-3-methylcyclohexa-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

1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
(3-methylcyclohexa-1,3-dien-1-yl)silane
CID 173485389
(1E)-1-ethoxycyclodecene
CID 164771748
(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
(3-methylcyclohexa-1,3-dien-1-yl)methanol
CID 123140542
5-(methoxymethoxy)cyclohexa-1,5-dien-1-ol
CID 45083154
ethane;1-ethoxy-4-methylcyclohepta-1,3,5-triene
CID 164862064
(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene
CID 135028315
(E)-1-(5-ethoxycyclohexa-1,5-dien-1-yl)-3-naphthalen-2-ylprop-2-en-1-one
CID 145023542
3-ethoxy-2H-thiopyran-5-one
CID 11194474
methyl 3-methylcyclohexa-1,3-diene-1-carboxylate
CID 12533909
(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one
CID 93485985

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylcyclohexa-1,3-diene?
The IUPAC name of 1-ethoxy-3-methylcyclohexa-1,3-diene (CID 21315553) is 1-ethoxy-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethoxy-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethoxy-3-methylcyclohexa-1,3-diene is CCOC1=CC(C)=CCC1.
What is the InChIKey of 1-ethoxy-3-methylcyclohexa-1,3-diene?
The InChIKey is AUOCXAVLVSGREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-ethoxy-3-methylcyclohexa-1,3-diene?
1-ethoxy-3-methylcyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 21315553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).