1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid

C14H22O5 — CID 150955504

IUPAC1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid
SMILESCC=COC(C)CC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C14H22O5/c1-3-8-19-10(2)9-14(13(17)18)7-5-4-6-11(14)12(15)16/h3,8,10-11H,4-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLKZPZDQYXHJUJO-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.66
Rot. Bonds6

About 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid

1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid (PubChem CID 150955504) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid
PubChem CID150955504
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid
SMILESCC=COC(C)CC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C14H22O5/c1-3-8-19-10(2)9-14(13(17)18)7-5-4-6-11(14)12(15)16/h3,8,10-11H,4-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLKZPZDQYXHJUJO-UHFFFAOYSA-N
XLogP2.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid (CID 150955504) is 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid is CC=COC(C)CC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid?
The InChIKey is LKZPZDQYXHJUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-3-8-19-10(2)9-14(13(17)18)7-5-4-6-11(14)12(15)16/h3,8,10-11H,4-7,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid?
1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid has a molecular weight of 270.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-enoxypropyl)cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 150955504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).