(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate

C12H16O3 — CID 154537210

IUPAC(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate
SMILESC=CC(=O)OC12CC3CC(O)(CC3C1)C2
InChIInChI=1S/C12H16O3/c1-2-10(13)15-12-5-8-3-11(14,7-12)4-9(8)6-12/h2,8-9,14H,1,3-7H2
InChIKeyCIIWFKZHXBNRTM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.41
Rot. Bonds2

About (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate

(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate (PubChem CID 154537210) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate.

Molecular Properties

Compound Name(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate
PubChem CID154537210
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate
SMILESC=CC(=O)OC12CC3CC(O)(CC3C1)C2
InChIInChI=1S/C12H16O3/c1-2-10(13)15-12-5-8-3-11(14,7-12)4-9(8)6-12/h2,8-9,14H,1,3-7H2
InChIKeyCIIWFKZHXBNRTM-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.41
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

(3-buta-1,3-dien-2-yloxy-5-prop-2-enoyloxy-1-adamantyl) prop-2-enoate
CID 88927997
(3-hydroxy-1-tetracyclo[5.2.1.03,8.05,8]decanyl) prop-2-enoate
CID 154542645
[3-(2-fluoroacetyl)oxy-1-adamantyl] prop-2-enoate
CID 88577519
(5-hydroxy-2-adamantyl) prop-2-enoate
CID 22986497
[3-(methylsulfanylmethoxy)-1-adamantyl] prop-2-enoate
CID 69220287
[3,5-bis(2-hydroxyethoxy)-1-adamantyl] prop-2-enoate
CID 70171220
[3-(trifluoromethylsulfonyloxy)-1-adamantyl] prop-2-enoate
CID 87738306
butyl 3-hydroxy-5-prop-2-enoyloxyadamantane-1-carboxylate
CID 22986505
1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
CID 175853176
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
CID 155094377

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate?
The IUPAC name of (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate (CID 154537210) is (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate.
What is the SMILES notation for (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate?
The canonical SMILES for (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate is C=CC(=O)OC12CC3CC(O)(CC3C1)C2.
What is the InChIKey of (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate?
The InChIKey is CIIWFKZHXBNRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-10(13)15-12-5-8-3-11(14,7-12)4-9(8)6-12/h2,8-9,14H,1,3-7H2.
What are the key properties of (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate?
(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate has a molecular weight of 208.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate is sourced from PubChem (CID 154537210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).