(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid

C15H24O4 — CID 67876019

IUPAC(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
SMILESC/C(=C\C1CCCCC1)C(=O)O.C/C=C(\C)C(=O)O
InChIInChI=1S/C10H16O2.C5H8O2/c1-8(10(11)12)7-9-5-3-2-4-6-9;1-3-4(2)5(6)7/h7,9H,2-6H2,1H3,(H,11,12);3H,1-2H3,(H,6,7)/b8-7+;4-3+
InChIKeyAEGROEANHRQANH-KGHXOJBXSA-N
MW268.35 g/mol
LogP3.63
Rot. Bonds3

About (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid

(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid (PubChem CID 67876019) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
PubChem CID67876019
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
SMILESC/C(=C\C1CCCCC1)C(=O)O.C/C=C(\C)C(=O)O
InChIInChI=1S/C10H16O2.C5H8O2/c1-8(10(11)12)7-9-5-3-2-4-6-9;1-3-4(2)5(6)7/h7,9H,2-6H2,1H3,(H,11,12);3H,1-2H3,(H,6,7)/b8-7+;4-3+
InChIKeyAEGROEANHRQANH-KGHXOJBXSA-N
XLogP3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid?
The IUPAC name of (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid (CID 67876019) is (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid.
What is the SMILES notation for (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid?
The canonical SMILES for (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid is C/C(=C\C1CCCCC1)C(=O)O.C/C=C(\C)C(=O)O.
What is the InChIKey of (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid?
The InChIKey is AEGROEANHRQANH-KGHXOJBXSA-N. The full InChI is InChI=1S/C10H16O2.C5H8O2/c1-8(10(11)12)7-9-5-3-2-4-6-9;1-3-4(2)5(6)7/h7,9H,2-6H2,1H3,(H,11,12);3H,1-2H3,(H,6,7)/b8-7+;4-3+.
What are the key properties of (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid?
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid has a molecular weight of 268.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid is sourced from PubChem (CID 67876019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).