(7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate

C15H20O2 — CID 163700917

IUPAC(7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C15H20O2/c1-3-13(16)17-14(2)10-4-9-5-11-12(14)8-15(11,6-9)7-10/h3,9-12H,1,4-8H2,2H3
InChIKeyKAXIKXFMNJEQFB-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.93
Rot. Bonds2

About (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate

(7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate (PubChem CID 163700917) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate.

Molecular Properties

Compound Name(7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate
PubChem CID163700917
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C15H20O2/c1-3-13(16)17-14(2)10-4-9-5-11-12(14)8-15(11,6-9)7-10/h3,9-12H,1,4-8H2,2H3
InChIKeyKAXIKXFMNJEQFB-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate?
The IUPAC name of (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate (CID 163700917) is (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate.
What is the SMILES notation for (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate?
The canonical SMILES for (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate is C=CC(=O)OC1(C)C2CC3CC4C1CC4(C3)C2.
What is the InChIKey of (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate?
The InChIKey is KAXIKXFMNJEQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-13(16)17-14(2)10-4-9-5-11-12(14)8-15(11,6-9)7-10/h3,9-12H,1,4-8H2,2H3.
What are the key properties of (7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate?
(7-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate 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-methyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) prop-2-enoate is sourced from PubChem (CID 163700917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).