(2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate

C13H20O4 — CID 89214017

IUPAC(2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C(C)C)C1OC=O
InChIInChI=1S/C13H20O4/c1-5-11(15)17-12-9(4)6-10(8(2)3)13(12)16-7-14/h5,7-10,12-13H,1,6H2,2-4H3
InChIKeyIFPRBXXYEHOQDA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.94
Rot. Bonds5

About (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate

(2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate (PubChem CID 89214017) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate.

Molecular Properties

Compound Name(2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate
PubChem CID89214017
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate
SMILESC=CC(=O)OC1C(C)CC(C(C)C)C1OC=O
InChIInChI=1S/C13H20O4/c1-5-11(15)17-12-9(4)6-10(8(2)3)13(12)16-7-14/h5,7-10,12-13H,1,6H2,2-4H3
InChIKeyIFPRBXXYEHOQDA-UHFFFAOYSA-N
XLogP1.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-formyloxy-5-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 89063658
(3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 89109150
(5-methyl-4-tricyclo[5.3.1.13,9]dodecanyl) prop-2-enoate
CID 130312887
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxoacetate;hydrate
CID 22831495
[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635828
[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635829
1-[2-methyl-4,5-di(propan-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 176827739
(5-methyloxolan-2-yl) prop-2-enoate
CID 54024158
(3-methyloxolan-2-yl) prop-2-enoate
CID 152547520
[2-[(3-formyloxy-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] prop-2-enoate
CID 88872558
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059

Frequently Asked Questions

What is the IUPAC name of (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate?
The IUPAC name of (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate (CID 89214017) is (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate.
What is the SMILES notation for (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate?
The canonical SMILES for (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate is C=CC(=O)OC1C(C)CC(C(C)C)C1OC=O.
What is the InChIKey of (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate?
The InChIKey is IFPRBXXYEHOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-11(15)17-12-9(4)6-10(8(2)3)13(12)16-7-14/h5,7-10,12-13H,1,6H2,2-4H3.
What are the key properties of (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate?
(2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate is sourced from PubChem (CID 89214017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).