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

C12H22O — CID 145235845

IUPAC2-(2-methoxyethyl)cyclohexa-1,3-diene;propane
SMILESCCC.COCCC1=CCCC=C1
InChIInChI=1S/C9H14O.C3H8/c1-10-8-7-9-5-3-2-4-6-9;1-3-2/h3,5-6H,2,4,7-8H2,1H3;3H2,1-2H3
InChIKeyJTDGAJOXDSASJR-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.72
Rot. Bonds3

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

2-(2-methoxyethyl)cyclohexa-1,3-diene;propane (PubChem CID 145235845) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane.

Molecular Properties

Compound Name2-(2-methoxyethyl)cyclohexa-1,3-diene;propane
PubChem CID145235845
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(2-methoxyethyl)cyclohexa-1,3-diene;propane
SMILESCCC.COCCC1=CCCC=C1
InChIInChI=1S/C9H14O.C3H8/c1-10-8-7-9-5-3-2-4-6-9;1-3-2/h3,5-6H,2,4,7-8H2,1H3;3H2,1-2H3
InChIKeyJTDGAJOXDSASJR-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane?
The IUPAC name of 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane (CID 145235845) is 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane.
What is the SMILES notation for 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane?
The canonical SMILES for 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane is CCC.COCCC1=CCCC=C1.
What is the InChIKey of 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane?
The InChIKey is JTDGAJOXDSASJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C3H8/c1-10-8-7-9-5-3-2-4-6-9;1-3-2/h3,5-6H,2,4,7-8H2,1H3;3H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane?
2-(2-methoxyethyl)cyclohexa-1,3-diene;propane has a molecular weight of 182.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)cyclohexa-1,3-diene;propane is sourced from PubChem (CID 145235845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).