(E)-3-cyclohexyl-2-methylprop-2-enoate

C10H15O2- — CID 21225952

IUPAC(E)-3-cyclohexyl-2-methylprop-2-enoate
SMILESC/C(=C\C1CCCCC1)C(=O)[O-]
InChIInChI=1S/C10H16O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/p-1/b8-7+
InChIKeyMEKATFFSLMQMRX-BQYQJAHWSA-M
MW167.23 g/mol
LogP1.26
Rot. Bonds2

About (E)-3-cyclohexyl-2-methylprop-2-enoate

(E)-3-cyclohexyl-2-methylprop-2-enoate (PubChem CID 21225952) has the molecular formula C10H15O2- and a molecular weight of 167.23 g/mol. Its IUPAC name is (E)-3-cyclohexyl-2-methylprop-2-enoate.

Molecular Properties

Compound Name(E)-3-cyclohexyl-2-methylprop-2-enoate
PubChem CID21225952
Molecular FormulaC10H15O2-
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(E)-3-cyclohexyl-2-methylprop-2-enoate
SMILESC/C(=C\C1CCCCC1)C(=O)[O-]
InChIInChI=1S/C10H16O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/p-1/b8-7+
InChIKeyMEKATFFSLMQMRX-BQYQJAHWSA-M
XLogP1.26
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-cyclopropyl-2-methylprop-2-enoate
CID 175580968
S-cyclopentyl 3-cyclopentyl-2-methylprop-2-enethioate
CID 91053037
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
CID 57027982
chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid
CID 173231321
[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
CID 131275429
2-(2-methylprop-2-enoyloxy)ethyl 3-cyclohexyl-2-methylprop-2-enoate
CID 174865636
butyl 3-cyclohexyl-2-methylprop-2-enoate
CID 67443261
butyl (E)-3-cyclohexyl-2-methylprop-2-enoate
CID 87402631
3-(1-cyclohexylazetidin-1-ium-1-yl)-2-methylprop-2-enoate
CID 67832958
3-cyclopentyl-2-methylprop-2-en-1-ol
CID 79334568

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-2-methylprop-2-enoate?
The IUPAC name of (E)-3-cyclohexyl-2-methylprop-2-enoate (CID 21225952) is (E)-3-cyclohexyl-2-methylprop-2-enoate.
What is the SMILES notation for (E)-3-cyclohexyl-2-methylprop-2-enoate?
The canonical SMILES for (E)-3-cyclohexyl-2-methylprop-2-enoate is C/C(=C\C1CCCCC1)C(=O)[O-].
What is the InChIKey of (E)-3-cyclohexyl-2-methylprop-2-enoate?
The InChIKey is MEKATFFSLMQMRX-BQYQJAHWSA-M. The full InChI is InChI=1S/C10H16O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/p-1/b8-7+.
What are the key properties of (E)-3-cyclohexyl-2-methylprop-2-enoate?
(E)-3-cyclohexyl-2-methylprop-2-enoate has a molecular weight of 167.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-2-methylprop-2-enoate is sourced from PubChem (CID 21225952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).