methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate

C24H34O3 — CID 157391279

IUPACmethanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
SMILESC1=CC2C3CCC(C3)C2C1.C=CC(=O)OC1CC2CC1C1C=CCC21.CO
InChIInChI=1S/C13H16O2.C10H14.CH4O/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2/h2-3,5,8-12H,1,4,6-7H2;1-2,7-10H,3-6H2;2H,1H3
InChIKeyBMAMSFACSAFRNR-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.53
Rot. Bonds2

About methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate

methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate (PubChem CID 157391279) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate.

Molecular Properties

Compound Namemethanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
PubChem CID157391279
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Namemethanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
SMILESC1=CC2C3CCC(C3)C2C1.C=CC(=O)OC1CC2CC1C1C=CCC21.CO
InChIInChI=1S/C13H16O2.C10H14.CH4O/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2/h2-3,5,8-12H,1,4,6-7H2;1-2,7-10H,3-6H2;2H,1H3
InChIKeyBMAMSFACSAFRNR-UHFFFAOYSA-N
XLogP4.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
CID 157126575
[(1S,2S,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 98048334
[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 89153529
cyclopenta-1,3-diene;heptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosa-5,14-diene;pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene;tricyclo[5.2.1.02,6]deca-3,8-diene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
CID 165070556
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592098
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592101
(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 11768627
(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 98044947
(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene
CID 118202950
[(1S,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
CID 98078056
2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 51408723
2-[[(1R,2S,6R,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 155251554

Frequently Asked Questions

What is the IUPAC name of methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
The IUPAC name of methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate (CID 157391279) is methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate.
What is the SMILES notation for methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
The canonical SMILES for methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate is C1=CC2C3CCC(C3)C2C1.C=CC(=O)OC1CC2CC1C1C=CCC21.CO.
What is the InChIKey of methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
The InChIKey is BMAMSFACSAFRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C10H14.CH4O/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2/h2-3,5,8-12H,1,4,6-7H2;1-2,7-10H,3-6H2;2H,1H3.
What are the key properties of methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate has a molecular weight of 370.53 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate is sourced from PubChem (CID 157391279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).