1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate

C16H24O2 — CID 146653192

IUPAC1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)C1CC2CCCC(C2)C1
InChIInChI=1S/C16H24O2/c1-4-15(18-16(17)11(2)3)14-9-12-6-5-7-13(8-12)10-14/h4,12-15H,1-2,5-10H2,3H3
InChIKeyQLICIDBQTOITNE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.88
Rot. Bonds4

About 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate

1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate (PubChem CID 146653192) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate
PubChem CID146653192
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)C1CC2CCCC(C2)C1
InChIInChI=1S/C16H24O2/c1-4-15(18-16(17)11(2)3)14-9-12-6-5-7-13(8-12)10-14/h4,12-15H,1-2,5-10H2,3H3
InChIKeyQLICIDBQTOITNE-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate (CID 146653192) is 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate is C=CC(OC(=O)C(=C)C)C1CC2CCCC(C2)C1.
What is the InChIKey of 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is QLICIDBQTOITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-15(18-16(17)11(2)3)14-9-12-6-5-7-13(8-12)10-14/h4,12-15H,1-2,5-10H2,3H3.
What are the key properties of 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate?
1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 248.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 146653192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).