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

C9H14O — CID 123358823

IUPAC5-(1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C)C1C=CC=CC1
InChIInChI=1S/C9H14O/c1-8(10-2)9-6-4-3-5-7-9/h3-6,8-9H,7H2,1-2H3
InChIKeyZMVGTSZBDVOGQE-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.15
Rot. Bonds2

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

5-(1-methoxyethyl)cyclohexa-1,3-diene (PubChem CID 123358823) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-(1-methoxyethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1-methoxyethyl)cyclohexa-1,3-diene
PubChem CID123358823
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-(1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C)C1C=CC=CC1
InChIInChI=1S/C9H14O/c1-8(10-2)9-6-4-3-5-7-9/h3-6,8-9H,7H2,1-2H3
InChIKeyZMVGTSZBDVOGQE-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(1-methoxyethyl)cyclohexa-1,3-diene (CID 123358823) is 5-(1-methoxyethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(1-methoxyethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(1-methoxyethyl)cyclohexa-1,3-diene is COC(C)C1C=CC=CC1.
What is the InChIKey of 5-(1-methoxyethyl)cyclohexa-1,3-diene?
The InChIKey is ZMVGTSZBDVOGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(10-2)9-6-4-3-5-7-9/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-(1-methoxyethyl)cyclohexa-1,3-diene?
5-(1-methoxyethyl)cyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 123358823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).