but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid

C15H26O5 — CID 159521608

IUPACbut-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid
SMILESCC=CC.COCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O5.C4H8/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-3-4-2/h8H,2-7H2,1H3,(H,12,13)(H,14,15);3-4H,1-2H3
InChIKeyMBWIIVPOEDDQFU-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.95
Rot. Bonds5

About but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid

but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid (PubChem CID 159521608) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namebut-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid
PubChem CID159521608
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Namebut-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid
SMILESCC=CC.COCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O5.C4H8/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-3-4-2/h8H,2-7H2,1H3,(H,12,13)(H,14,15);3-4H,1-2H3
InChIKeyMBWIIVPOEDDQFU-UHFFFAOYSA-N
XLogP2.95
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid (CID 159521608) is but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid is CC=CC.COCCC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid?
The InChIKey is MBWIIVPOEDDQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5.C4H8/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-3-4-2/h8H,2-7H2,1H3,(H,12,13)(H,14,15);3-4H,1-2H3.
What are the key properties of but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid?
but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 159521608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).