2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid

C14H20O6 — CID 6452386

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESC=C(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H20O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h10-11H,1,3-8H2,2H3,(H,15,16)
InChIKeyGWFCWZQFUSJPRE-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.54
Rot. Bonds6

About 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid

2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid (PubChem CID 6452386) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
PubChem CID6452386
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESC=C(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H20O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h10-11H,1,3-8H2,2H3,(H,15,16)
InChIKeyGWFCWZQFUSJPRE-UHFFFAOYSA-N
XLogP1.54
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-2-((2-(Acryloyloxy)ethoxy)carbonyl)cyclohexane-1-carboxylic Acid (stabilized with MEHQ)
CID 168440627
2-Acryloyloxyethyl hexahydrophthalate
CID 18175914
2-[2-(2-Methylprop-2-enoyloxy)propoxycarbonyl]cyclohexane-1-carboxylic acid
CID 18626843
2-Methyl-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 19082550
2-[1-(2-Methylprop-2-enoyloxy)propan-2-yloxycarbonyl]cyclohexane-1-carboxylic acid
CID 21562229
Hexahydrophthalic acid bis[2-(methacryloyloxy)ethyl] ester
CID 56993673
2-[2-(2-Methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate
CID 158586834
1,2-Cyclohexanedicarboxylic acid, allyl isobutyl ester
CID 91691292
1,2-Cyclohexanedicarboxylic acid, allyl ethyl ester
CID 91697609
1,2-Cyclohexanedicarboxylic acid, allyl butyl ester
CID 91697610
1,2-Cyclohexanedicarboxylic acid, allyl propyl ester
CID 91697749
cis-(1S,2R)-2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 134957756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid (CID 6452386) is 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid is C=C(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is GWFCWZQFUSJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h10-11H,1,3-8H2,2H3,(H,15,16).
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 6452386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).