(5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate

C15H20O2 — CID 129103180

IUPAC(5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)C2CC3CC(C2)C32CC12
InChIInChI=1S/C15H20O2/c1-8(2)13(16)17-14(3)9-4-10-6-11(5-9)15(10)7-12(14)15/h9-12H,1,4-7H2,2-3H3
InChIKeyVGFSJOHWCUONFW-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.93
Rot. Bonds2

About (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate

(5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate (PubChem CID 129103180) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate
PubChem CID129103180
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)C2CC3CC(C2)C32CC12
InChIInChI=1S/C15H20O2/c1-8(2)13(16)17-14(3)9-4-10-6-11(5-9)15(10)7-12(14)15/h9-12H,1,4-7H2,2-3H3
InChIKeyVGFSJOHWCUONFW-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 (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate?
The IUPAC name of (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate (CID 129103180) is (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate?
The canonical SMILES for (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)C2CC3CC(C2)C32CC12.
What is the InChIKey of (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate?
The InChIKey is VGFSJOHWCUONFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-8(2)13(16)17-14(3)9-4-10-6-11(5-9)15(10)7-12(14)15/h9-12H,1,4-7H2,2-3H3.
What are the key properties of (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate?
(5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-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 (5-methyl-5-tetracyclo[4.3.1.02,4.02,8]decanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 129103180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).