(Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid

C10H16O3 — CID 131413534

IUPAC(Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid
SMILESCOC1(/C=C(/C)C(=O)O)CCCC1
InChIInChI=1S/C10H16O3/c1-8(9(11)12)7-10(13-2)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)/b8-7-
InChIKeyHBTAWMCGLOQPLM-FPLPWBNLSA-N
MW184.24 g/mol
LogP1.98
Rot. Bonds3

About (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid

(Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid (PubChem CID 131413534) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid
PubChem CID131413534
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid
SMILESCOC1(/C=C(/C)C(=O)O)CCCC1
InChIInChI=1S/C10H16O3/c1-8(9(11)12)7-10(13-2)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)/b8-7-
InChIKeyHBTAWMCGLOQPLM-FPLPWBNLSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-3-(1-methylcyclohexyl)prop-2-enoic acid
CID 21029123
3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid
CID 151375987
3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid
CID 68582544
2-methyl-3-[1-(oxiran-2-yl)cyclohexyl]prop-2-enoic acid
CID 57185922
[(E)-1-acetyloxy-3-(1-methoxycyclopentyl)prop-2-enyl] acetate
CID 101109027
(E)-3-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-2-methylprop-2-enoic acid
CID 139726140
4-methoxy-1,1-dioxothiepane-4-carbaldehyde
CID 105458997
cyclodecane;methanol;2-methylbut-2-enoic acid
CID 174824435
tris(cyclodecane);methanol;2-methylbut-2-enoic acid
CID 174470242
1-(1-methoxycycloheptyl)ethanone
CID 83225564
1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-one
CID 104610255
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid?
The IUPAC name of (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid (CID 131413534) is (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid is COC1(/C=C(/C)C(=O)O)CCCC1.
What is the InChIKey of (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid?
The InChIKey is HBTAWMCGLOQPLM-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(9(11)12)7-10(13-2)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)/b8-7-.
What are the key properties of (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid?
(Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 131413534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).