(7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate

C15H20O2 — CID 123177438

IUPAC(7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate
SMILESC=CC12CC3CC14C(CC4C3(C)OC(C)=O)C2
InChIInChI=1S/C15H20O2/c1-4-14-6-10-5-12-13(3,17-9(2)16)11(7-14)8-15(10,12)14/h4,10-12H,1,5-8H2,2-3H3
InChIKeyUBBQUPRXAMLOCG-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.93
Rot. Bonds2

About (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate

(7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate (PubChem CID 123177438) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate.

Molecular Properties

Compound Name(7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate
PubChem CID123177438
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate
SMILESC=CC12CC3CC14C(CC4C3(C)OC(C)=O)C2
InChIInChI=1S/C15H20O2/c1-4-14-6-10-5-12-13(3,17-9(2)16)11(7-14)8-15(10,12)14/h4,10-12H,1,5-8H2,2-3H3
InChIKeyUBBQUPRXAMLOCG-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
[3-ethenoxy-3-methyl-6-(trifluoromethyl)-6-bicyclo[3.2.1]octanyl] acetate
CID 163940985
[(1S)-2,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate
CID 58065069
(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate
CID 143448424
(2,5-dimethyl-2-adamantyl) prop-2-enoate
CID 58844013
(2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) prop-2-enoate
CID 122518354
1-(2,2-dimethylcyclopropyl)but-3-en-1-one
CID 107003815
(1-methylcyclobutyl) acetate
CID 13396130
(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate
CID 147677229
(4-iodo-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) acetate
CID 102375217
(3-hydroxy-1-tetracyclo[5.2.1.03,8.05,8]decanyl) prop-2-enoate
CID 154542645
sodium;1-adamantyl acetate;hydride
CID 174617949

Frequently Asked Questions

What is the IUPAC name of (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate?
The IUPAC name of (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate (CID 123177438) is (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate.
What is the SMILES notation for (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate?
The canonical SMILES for (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate is C=CC12CC3CC14C(CC4C3(C)OC(C)=O)C2.
What is the InChIKey of (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate?
The InChIKey is UBBQUPRXAMLOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-14-6-10-5-12-13(3,17-9(2)16)11(7-14)8-15(10,12)14/h4,10-12H,1,5-8H2,2-3H3.
What are the key properties of (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate?
(7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate has a molecular weight of 232.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate is sourced from PubChem (CID 123177438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).