1-(2-methoxyethyl)cyclohexa-1,3-diene

C9H14O — CID 14290332

IUPAC1-(2-methoxyethyl)cyclohexa-1,3-diene
SMILESCOCCC1=CC=CCC1
InChIInChI=1S/C9H14O/c1-10-8-7-9-5-3-2-4-6-9/h2-3,5H,4,6-8H2,1H3
InChIKeyZMDTWRYFALWTPX-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-methoxyethyl)cyclohexa-1,3-diene

1-(2-methoxyethyl)cyclohexa-1,3-diene (PubChem CID 14290332) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclohexa-1,3-diene
PubChem CID14290332
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-(2-methoxyethyl)cyclohexa-1,3-diene
SMILESCOCCC1=CC=CCC1
InChIInChI=1S/C9H14O/c1-10-8-7-9-5-3-2-4-6-9/h2-3,5H,4,6-8H2,1H3
InChIKeyZMDTWRYFALWTPX-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(2-methoxyethyl)cyclohexa-1,3-diene (CID 14290332) is 1-(2-methoxyethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-methoxyethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(2-methoxyethyl)cyclohexa-1,3-diene is COCCC1=CC=CCC1.
What is the InChIKey of 1-(2-methoxyethyl)cyclohexa-1,3-diene?
The InChIKey is ZMDTWRYFALWTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-10-8-7-9-5-3-2-4-6-9/h2-3,5H,4,6-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)cyclohexa-1,3-diene?
1-(2-methoxyethyl)cyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 14290332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).