9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate

C13H16O3 — CID 59642033

IUPAC9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate
SMILESC=CC(=O)OC1CCC2C3CC(C4OC34)C12
InChIInChI=1S/C13H16O3/c1-2-10(14)15-9-4-3-6-7-5-8(11(6)9)13-12(7)16-13/h2,6-9,11-13H,1,3-5H2
InChIKeyHHWZGFUGKRNXAL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.53
Rot. Bonds2

About 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate

9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate (PubChem CID 59642033) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate.

Molecular Properties

Compound Name9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate
PubChem CID59642033
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate
SMILESC=CC(=O)OC1CCC2C3CC(C4OC34)C12
InChIInChI=1S/C13H16O3/c1-2-10(14)15-9-4-3-6-7-5-8(11(6)9)13-12(7)16-13/h2,6-9,11-13H,1,3-5H2
InChIKeyHHWZGFUGKRNXAL-UHFFFAOYSA-N
XLogP1.53
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(4R)-10-buta-1,3-dien-2-yloxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] prop-2-enoate
CID 148821501
(5-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 20727695
(9-methoxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 20727718
(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) prop-2-enoate
CID 58667668
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
CID 173227335
(12-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 59060410
(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) prop-2-enoate
CID 22168890
[(3R,4S,5R)-4,5,6-tri(prop-2-enoyloxy)oxan-3-yl] prop-2-enoate
CID 126578301
CID 159294157
CID 159294157
[9-(2-hydroxypropan-2-yl)-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl] prop-2-enoate
CID 58785738
3-oxatricyclo[3.2.1.02,4]octan-6-yl but-3-enoate
CID 126683046

Frequently Asked Questions

What is the IUPAC name of 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate?
The IUPAC name of 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate (CID 59642033) is 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate.
What is the SMILES notation for 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate?
The canonical SMILES for 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate is C=CC(=O)OC1CCC2C3CC(C4OC34)C12.
What is the InChIKey of 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate?
The InChIKey is HHWZGFUGKRNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-10(14)15-9-4-3-6-7-5-8(11(6)9)13-12(7)16-13/h2,6-9,11-13H,1,3-5H2.
What are the key properties of 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate?
9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate is sourced from PubChem (CID 59642033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).