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

C14H24O5 — CID 159439437

IUPAC1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
SMILESC=CC.COCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O5.C3H6/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-3-2/h8H,2-7H2,1H3,(H,12,13)(H,14,15);3H,1H2,2H3
InChIKeyLRZHYNKOVNBSAW-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.56
Rot. Bonds5

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

1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene (PubChem CID 159439437) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
PubChem CID159439437
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
SMILESC=CC.COCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O5.C3H6/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-3-2/h8H,2-7H2,1H3,(H,12,13)(H,14,15);3H,1H2,2H3
InChIKeyLRZHYNKOVNBSAW-UHFFFAOYSA-N
XLogP2.56
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
2-hydroxybutyl prop-2-enoate;1-(2-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
CID 160742310
1-(4-hydroxybutyl)cyclohexane-1,2-dicarboxylic acid
CID 90859114
1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
CID 159036419
1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid
CID 56634315
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
1-tetradec-2-enylcyclohexane-1,2-dicarboxylic acid
CID 54086177
1-ethenylcyclohexane-1,2-dicarboxylic acid
CID 156868252
1-(4-ethenoxybutoxycarbonyl)cyclohexane-1,2-dicarboxylic acid
CID 151301649
1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
CID 121349084
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
1-prop-2-enoylcyclohexane-1,2-dicarboxylic acid
CID 67543785

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene?
The IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene (CID 159439437) is 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene.
What is the SMILES notation for 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene?
The canonical SMILES for 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene is C=CC.COCCC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene?
The InChIKey is LRZHYNKOVNBSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5.C3H6/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-3-2/h8H,2-7H2,1H3,(H,12,13)(H,14,15);3H,1H2,2H3.
What are the key properties of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene?
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene has a molecular weight of 272.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene is sourced from PubChem (CID 159439437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).