(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

C14H20O3 — CID 22898172

IUPAC(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC2C3CC(O)C(C3)C2C1
InChIInChI=1S/C14H20O3/c1-3-13(16)17-14(2)6-10-8-4-9(11(10)7-14)12(15)5-8/h3,8-12,15H,1,4-7H2,2H3
InChIKeyHABNKMXEZQWPLO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds2

About (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (PubChem CID 22898172) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.

Molecular Properties

Compound Name(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
PubChem CID22898172
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC2C3CC(O)C(C3)C2C1
InChIInChI=1S/C14H20O3/c1-3-13(16)17-14(2)6-10-8-4-9(11(10)7-14)12(15)5-8/h3,8-12,15H,1,4-7H2,2H3
InChIKeyHABNKMXEZQWPLO-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-acetyloxy-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl) prop-2-enoate
CID 134187130
(1-methyl-3-oxocyclobutyl) prop-2-enoate
CID 154597536
ethane;(2-methyl-1-adamantyl) prop-2-enoate
CID 174890860
(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
CID 18381221
(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate
CID 20736113
(2-ethyl-1-adamantyl) prop-2-enoate
CID 66603448
(2,5-dimethyl-2-adamantyl) prop-2-enoate
CID 58844013
(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 140551082
(1,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclopropene]-2-yl) prop-2-enoate
CID 89380444
(8-methyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) prop-2-enoate
CID 22168877
(5-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 20727695
(5-methoxy-2-methyl-2-adamantyl) prop-2-enoate
CID 58844074

Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The IUPAC name of (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (CID 22898172) is (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.
What is the SMILES notation for (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The canonical SMILES for (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is C=CC(=O)OC1(C)CC2C3CC(O)C(C3)C2C1.
What is the InChIKey of (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The InChIKey is HABNKMXEZQWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-13(16)17-14(2)6-10-8-4-9(11(10)7-14)12(15)5-8/h3,8-12,15H,1,4-7H2,2H3.
What are the key properties of (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate has a molecular weight of 236.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is sourced from PubChem (CID 22898172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).