2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate

C14H22O3 — CID 70667209

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1CCC2CCCC2C1
InChIInChI=1S/C14H22O3/c1-2-14(15)17-9-8-16-13-7-6-11-4-3-5-12(11)10-13/h2,11-13H,1,3-10H2
InChIKeyONZFFZYPUGBCSI-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.70
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate (PubChem CID 70667209) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate
PubChem CID70667209
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1CCC2CCCC2C1
InChIInChI=1S/C14H22O3/c1-2-14(15)17-9-8-16-13-7-6-11-4-3-5-12(11)10-13/h2,11-13H,1,3-10H2
InChIKeyONZFFZYPUGBCSI-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl prop-2-enoate
CID 20727671
2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate
CID 139363624
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595925
2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
CID 171717408
2-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-3-[3-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]-2,2-dimethylpropoxy]propan-2-yl]oxycarbonylamino]ethyl prop-2-enoate
CID 140536687
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[6-[[4-(4-prop-1-en-2-ylperoxybutoxy)cyclohexyl]oxymethoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)cyclohexane-1-carboxylate
CID 140512773
2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595926
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
[4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxymethyl]cyclohexanecarbonyl]oxycyclohexyl]cyclohexyl] 4-(aminomethyl)cyclohexane-1-carboxylate
CID 145011812

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate (CID 70667209) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate is C=CC(=O)OCCOC1CCC2CCCC2C1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate?
The InChIKey is ONZFFZYPUGBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-14(15)17-9-8-16-13-7-6-11-4-3-5-12(11)10-13/h2,11-13H,1,3-10H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate has a molecular weight of 238.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate is sourced from PubChem (CID 70667209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).