(Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid

C10H14O2 — CID 12842608

IUPAC(Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid
SMILESCC1=CCC(/C=C\C(=O)O)CC1
InChIInChI=1S/C10H14O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2,6-7,9H,3-5H2,1H3,(H,11,12)/b7-6-
InChIKeyBLNNVLILCBFYAM-SREVYHEPSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds2

About (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid

(Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid (PubChem CID 12842608) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid
PubChem CID12842608
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid
SMILESCC1=CCC(/C=C\C(=O)O)CC1
InChIInChI=1S/C10H14O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2,6-7,9H,3-5H2,1H3,(H,11,12)/b7-6-
InChIKeyBLNNVLILCBFYAM-SREVYHEPSA-N
XLogP2.37
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 ≤ 52.37
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

(E)-3-methyl-4-(4-methylcyclohex-3-en-1-yl)but-3-en-2-one
CID 23330257
[(1R)-4-methylcyclohex-3-en-1-yl] 2-oxoacetate
CID 130742272
(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299
2-methyl-1-(4-methylcyclohex-3-en-1-yl)propan-1-one
CID 89484122
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
CID 76958477
1,4-dimethyl(113C)cyclohexene
CID 11018826
(E)-6-(4-methylcyclohex-3-en-1-yl)hept-2-en-4-one
CID 90805896
3-(6-methylcyclohex-3-en-1-yl)prop-2-enoic acid
CID 154122429
2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-2,5-dien-4-one
CID 163026418
(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
CID 117266106
CID 59269448
CID 59269448

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid (CID 12842608) is (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid is CC1=CCC(/C=C\C(=O)O)CC1.
What is the InChIKey of (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
The InChIKey is BLNNVLILCBFYAM-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2,6-7,9H,3-5H2,1H3,(H,11,12)/b7-6-.
What are the key properties of (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid?
(Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid is sourced from PubChem (CID 12842608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).