(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid

C12H18O2 — CID 15359728

IUPAC(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid
SMILESC/C(=C\C(C)C1C=CCCC1)C(=O)O
InChIInChI=1S/C12H18O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,13,14)/b10-8+
InChIKeyDFHQAGGRXVBALD-CSKARUKUSA-N
MW194.27 g/mol
LogP3.01
Rot. Bonds3

About (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid

(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid (PubChem CID 15359728) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid
PubChem CID15359728
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid
SMILESC/C(=C\C(C)C1C=CCCC1)C(=O)O
InChIInChI=1S/C12H18O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,13,14)/b10-8+
InChIKeyDFHQAGGRXVBALD-CSKARUKUSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 154609477
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4-cyclohex-2-en-1-yl-2-methylpentanoic acid
CID 22395768
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
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[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
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2-cyclohex-2-en-1-ylpentanoic acid
CID 12609529
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336
methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
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1-cyclohex-2-en-1-ylbut-2-en-1-ol
CID 163436872
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
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CID 142833957

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid?
The IUPAC name of (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid (CID 15359728) is (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid is C/C(=C\C(C)C1C=CCCC1)C(=O)O.
What is the InChIKey of (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid?
The InChIKey is DFHQAGGRXVBALD-CSKARUKUSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,13,14)/b10-8+.
What are the key properties of (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid?
(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid has a molecular weight of 194.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid is sourced from PubChem (CID 15359728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).