3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid

C10H14O2 — CID 154122429

IUPAC3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid
SMILESCC1CC=CCC1C=CC(=O)O
InChIInChI=1S/C10H14O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-3,6-9H,4-5H2,1H3,(H,11,12)
InChIKeyBPIMVQOFMKMNBD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds2

About 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid

3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid (PubChem CID 154122429) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid
PubChem CID154122429
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid
SMILESCC1CC=CCC1C=CC(=O)O
InChIInChI=1S/C10H14O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-3,6-9H,4-5H2,1H3,(H,11,12)
InChIKeyBPIMVQOFMKMNBD-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
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

4-methyl-5-prop-1-enylcyclohexene
CID 123539934
N-[(Z)-2-(6-methylcyclohex-3-en-1-yl)ethenyl]methanimine
CID 130390394
(6S)-6-formylcyclohex-3-ene-1-carboxylic acid
CID 142182365
(Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid
CID 12842608
(E)-3-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-enoic acid
CID 44607797
3-(2-prop-2-enoylcyclohexyl)prop-2-enoic acid
CID 123518426
(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid
CID 154493247
(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
CID 122176743
(E)-3-(2,2,6-trimethylcyclohexyl)prop-2-enoic acid
CID 67805353
(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893
methyl (1S,6R)-6-formylcyclohex-3-ene-1-carboxylate
CID 57119350
N-formyl-6-methylcyclohex-3-ene-1-carboxamide
CID 170764667

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
The IUPAC name of 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid (CID 154122429) is 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
The canonical SMILES for 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid is CC1CC=CCC1C=CC(=O)O.
What is the InChIKey of 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
The InChIKey is BPIMVQOFMKMNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-3,6-9H,4-5H2,1H3,(H,11,12).
What are the key properties of 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid is sourced from PubChem (CID 154122429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).