3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid

C19H30O2 — CID 175265755

IUPAC3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid
SMILESO=C(O)C(CC1CCCC1)=C(C1CCCC1)C1CCCC1
InChIInChI=1S/C19H30O2/c20-19(21)17(13-14-7-1-2-8-14)18(15-9-3-4-10-15)16-11-5-6-12-16/h14-16H,1-13H2,(H,20,21)
InChIKeyJCMVNUZUJQCLKG-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.33
Rot. Bonds5

About 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid

3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid (PubChem CID 175265755) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid.

Molecular Properties

Compound Name3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid
PubChem CID175265755
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid
SMILESO=C(O)C(CC1CCCC1)=C(C1CCCC1)C1CCCC1
InChIInChI=1S/C19H30O2/c20-19(21)17(13-14-7-1-2-8-14)18(15-9-3-4-10-15)16-11-5-6-12-16/h14-16H,1-13H2,(H,20,21)
InChIKeyJCMVNUZUJQCLKG-UHFFFAOYSA-N
XLogP5.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.33
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

3,3-di(cyclodecyl)-2-(cyclodecylmethyl)prop-2-enoic acid;3,3-di(cyclopenten-1-yl)-2-methylprop-2-enoic acid
CID 174897693
3-cyclohexyl-2-oxopropanoic acid
CID 160850076
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2,3,3-tri(cyclodecyl)prop-2-enoic acid
CID 19602211
(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid
CID 165441204
1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
2-cyclodecylacetamide
CID 150110792
1-cyclohexadecylpropan-2-one
CID 175123721

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid?
The IUPAC name of 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid (CID 175265755) is 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid.
What is the SMILES notation for 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid?
The canonical SMILES for 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid is O=C(O)C(CC1CCCC1)=C(C1CCCC1)C1CCCC1.
What is the InChIKey of 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid?
The InChIKey is JCMVNUZUJQCLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c20-19(21)17(13-14-7-1-2-8-14)18(15-9-3-4-10-15)16-11-5-6-12-16/h14-16H,1-13H2,(H,20,21).
What are the key properties of 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid?
3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid has a molecular weight of 290.45 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopentyl-2-(cyclopentylmethyl)prop-2-enoic acid is sourced from PubChem (CID 175265755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).