spiro[4.6]undecan-4-yl prop-2-enoate

C14H22O2 — CID 164546838

IUPACspiro[4.6]undecan-4-yl prop-2-enoate
SMILESC=CC(=O)OC1CCCC12CCCCCC2
InChIInChI=1S/C14H22O2/c1-2-13(15)16-12-8-7-11-14(12)9-5-3-4-6-10-14/h2,12H,1,3-11H2
InChIKeyDWDQXYGBNXKTIG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds2

About spiro[4.6]undecan-4-yl prop-2-enoate

spiro[4.6]undecan-4-yl prop-2-enoate (PubChem CID 164546838) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is spiro[4.6]undecan-4-yl prop-2-enoate.

Molecular Properties

Compound Namespiro[4.6]undecan-4-yl prop-2-enoate
PubChem CID164546838
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namespiro[4.6]undecan-4-yl prop-2-enoate
SMILESC=CC(=O)OC1CCCC12CCCCCC2
InChIInChI=1S/C14H22O2/c1-2-13(15)16-12-8-7-11-14(12)9-5-3-4-6-10-14/h2,12H,1,3-11H2
InChIKeyDWDQXYGBNXKTIG-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[4.6]undecan-4-yl prop-2-enoate?
The IUPAC name of spiro[4.6]undecan-4-yl prop-2-enoate (CID 164546838) is spiro[4.6]undecan-4-yl prop-2-enoate.
What is the SMILES notation for spiro[4.6]undecan-4-yl prop-2-enoate?
The canonical SMILES for spiro[4.6]undecan-4-yl prop-2-enoate is C=CC(=O)OC1CCCC12CCCCCC2.
What is the InChIKey of spiro[4.6]undecan-4-yl prop-2-enoate?
The InChIKey is DWDQXYGBNXKTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-13(15)16-12-8-7-11-14(12)9-5-3-4-6-10-14/h2,12H,1,3-11H2.
What are the key properties of spiro[4.6]undecan-4-yl prop-2-enoate?
spiro[4.6]undecan-4-yl prop-2-enoate has a molecular weight of 222.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.6]undecan-4-yl prop-2-enoate is sourced from PubChem (CID 164546838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).