3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid

C16H28O2 — CID 68582544

IUPAC3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid
SMILESCCC1(C=C(C)C(=O)O)CCCCCCCCC1
InChIInChI=1S/C16H28O2/c1-3-16(13-14(2)15(17)18)11-9-7-5-4-6-8-10-12-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyMJRLTZZJTJQYCT-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.94
Rot. Bonds3

About 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid

3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid (PubChem CID 68582544) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid
PubChem CID68582544
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid
SMILESCCC1(C=C(C)C(=O)O)CCCCCCCCC1
InChIInChI=1S/C16H28O2/c1-3-16(13-14(2)15(17)18)11-9-7-5-4-6-8-10-12-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyMJRLTZZJTJQYCT-UHFFFAOYSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
(Z)-3-(1-methoxycyclopentyl)-2-methylprop-2-enoic acid
CID 131413534
3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid
CID 151375987
2-methyl-3-[1-(oxiran-2-yl)cyclohexyl]prop-2-enoic acid
CID 57185922
cyclodecane;methanol;2-methylbut-2-enoic acid
CID 174824435
tris(cyclodecane);methanol;2-methylbut-2-enoic acid
CID 174470242
(E)-3-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-2-methylprop-2-enoic acid
CID 139726140
2-(1-ethylcyclopentyl)-2-oxoacetic acid
CID 66611187
(E)-3-(2-ethylcyclooctyl)-2-methylprop-2-enoic acid
CID 140579937
3-(2-ethyl-2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enoic acid
CID 66772705
3-(2-formyloxiran-2-yl)-2-methylprop-2-enoic acid
CID 54180047
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid (CID 68582544) is 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid is CCC1(C=C(C)C(=O)O)CCCCCCCCC1.
What is the InChIKey of 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid?
The InChIKey is MJRLTZZJTJQYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-16(13-14(2)15(17)18)11-9-7-5-4-6-8-10-12-16/h13H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid?
3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid has a molecular weight of 252.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylcyclodecyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 68582544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).