2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene

C12H18O — CID 170602007

IUPAC2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene
SMILESCCOCC1(C2=CCCC=C2)CC1
InChIInChI=1S/C12H18O/c1-2-13-10-12(8-9-12)11-6-4-3-5-7-11/h4,6-7H,2-3,5,8-10H2,1H3
InChIKeyHYDUOORRTIUWPI-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.08
Rot. Bonds4

About 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene

2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene (PubChem CID 170602007) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene
PubChem CID170602007
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene
SMILESCCOCC1(C2=CCCC=C2)CC1
InChIInChI=1S/C12H18O/c1-2-13-10-12(8-9-12)11-6-4-3-5-7-11/h4,6-7H,2-3,5,8-10H2,1H3
InChIKeyHYDUOORRTIUWPI-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[1-(ethoxymethyl)cyclopropyl]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

8-Ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene
CID 86186354
2-[1-(2-Cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene
CID 67921648
6-(3-Ethylpentan-2-yloxymethyl)-1-methylcyclohexa-1,3-diene
CID 70985784
2-Tert-butyl-6-(methoxymethyl)cyclohexa-1,3-diene
CID 118327825
[1-(2-Methoxyethenyl)cyclopropyl]cyclooctatetraene
CID 123540698
2-Methyl-5-(1-propoxyethyl)cyclohexa-1,3-diene
CID 123558453
4-(Methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane
CID 123825938
5-Methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene
CID 141204231
5-Methyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141402188
6-(Methoxymethyl)-2,6-dimethylcyclohexa-1,3-diene
CID 141944496
1,5-Dimethyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141989686
ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
CID 143867259

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene (CID 170602007) is 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene is CCOCC1(C2=CCCC=C2)CC1.
What is the InChIKey of 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
The InChIKey is HYDUOORRTIUWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-10-12(8-9-12)11-6-4-3-5-7-11/h4,6-7H,2-3,5,8-10H2,1H3.
What are the key properties of 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene has a molecular weight of 178.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene is sourced from PubChem (CID 170602007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).