(2-cyclopentylidenecyclopentyl) prop-2-enoate

C13H18O2 — CID 139893986

IUPAC(2-cyclopentylidenecyclopentyl) prop-2-enoate
SMILESC=CC(=O)OC1CCCC1=C1CCCC1
InChIInChI=1S/C13H18O2/c1-2-13(14)15-12-9-5-8-11(12)10-6-3-4-7-10/h2,12H,1,3-9H2
InChIKeyXTDITOPVVLGZKZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds2

About (2-cyclopentylidenecyclopentyl) prop-2-enoate

(2-cyclopentylidenecyclopentyl) prop-2-enoate (PubChem CID 139893986) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2-cyclopentylidenecyclopentyl) prop-2-enoate.

Molecular Properties

Compound Name(2-cyclopentylidenecyclopentyl) prop-2-enoate
PubChem CID139893986
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2-cyclopentylidenecyclopentyl) prop-2-enoate
SMILESC=CC(=O)OC1CCCC1=C1CCCC1
InChIInChI=1S/C13H18O2/c1-2-13(14)15-12-9-5-8-11(12)10-6-3-4-7-10/h2,12H,1,3-9H2
InChIKeyXTDITOPVVLGZKZ-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2-cyclohexylidenecyclohexyl) prop-2-enoate
CID 139893991
8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate
CID 141343042
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
[(1S,5S)-5-acetyloxy-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl] acetate
CID 10658458
(2,6-dioxooxan-3-yl) prop-2-enoate
CID 150861721
(6-oxooxan-2-yl) prop-2-enoate
CID 67204371
CID 159294157
CID 159294157
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 10773625
(1,1-dioxothiolan-3-yl) prop-2-enoate
CID 54012913
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylidenecyclopentyl) prop-2-enoate?
The IUPAC name of (2-cyclopentylidenecyclopentyl) prop-2-enoate (CID 139893986) is (2-cyclopentylidenecyclopentyl) prop-2-enoate.
What is the SMILES notation for (2-cyclopentylidenecyclopentyl) prop-2-enoate?
The canonical SMILES for (2-cyclopentylidenecyclopentyl) prop-2-enoate is C=CC(=O)OC1CCCC1=C1CCCC1.
What is the InChIKey of (2-cyclopentylidenecyclopentyl) prop-2-enoate?
The InChIKey is XTDITOPVVLGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-13(14)15-12-9-5-8-11(12)10-6-3-4-7-10/h2,12H,1,3-9H2.
What are the key properties of (2-cyclopentylidenecyclopentyl) prop-2-enoate?
(2-cyclopentylidenecyclopentyl) prop-2-enoate has a molecular weight of 206.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylidenecyclopentyl) prop-2-enoate is sourced from PubChem (CID 139893986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).