1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid

C14H18O6 — CID 66693287

IUPAC1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid
SMILESC=CC(=O)OC(C=C)C1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C14H18O6/c1-3-10(20-11(15)4-2)14(13(18)19)8-6-5-7-9(14)12(16)17/h3-4,9-10H,1-2,5-8H2,(H,16,17)(H,18,19)
InChIKeyYFMRCIAYSMDVAB-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.62
Rot. Bonds6

About 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid

1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid (PubChem CID 66693287) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid
PubChem CID66693287
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid
SMILESC=CC(=O)OC(C=C)C1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C14H18O6/c1-3-10(20-11(15)4-2)14(13(18)19)8-6-5-7-9(14)12(16)17/h3-4,9-10H,1-2,5-8H2,(H,16,17)(H,18,19)
InChIKeyYFMRCIAYSMDVAB-UHFFFAOYSA-N
XLogP1.62
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid (CID 66693287) is 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid is C=CC(=O)OC(C=C)C1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid?
The InChIKey is YFMRCIAYSMDVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-3-10(20-11(15)4-2)14(13(18)19)8-6-5-7-9(14)12(16)17/h3-4,9-10H,1-2,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid?
1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoyloxyprop-2-enyl)cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 66693287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).