4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate

C14H18O2 — CID 129102808

IUPAC4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CC4CC(C3)C41C2
InChIInChI=1S/C14H18O2/c1-8(2)12(15)16-13-6-9-3-10-5-11(4-9)14(10,13)7-13/h9-11H,1,3-7H2,2H3
InChIKeyHCZDIRWTHIIOOU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.68
Rot. Bonds2

About 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate

4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate (PubChem CID 129102808) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate
PubChem CID129102808
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CC4CC(C3)C41C2
InChIInChI=1S/C14H18O2/c1-8(2)12(15)16-13-6-9-3-10-5-11(4-9)14(10,13)7-13/h9-11H,1,3-7H2,2H3
InChIKeyHCZDIRWTHIIOOU-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.68
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 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate?
The IUPAC name of 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate (CID 129102808) is 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate?
The canonical SMILES for 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate is C=C(C)C(=O)OC12CC3CC4CC(C3)C41C2.
What is the InChIKey of 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate?
The InChIKey is HCZDIRWTHIIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-8(2)12(15)16-13-6-9-3-10-5-11(4-9)14(10,13)7-13/h9-11H,1,3-7H2,2H3.
What are the key properties of 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate?
4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetracyclo[4.3.1.02,4.02,8]decanyl 2-methylprop-2-enoate is sourced from PubChem (CID 129102808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).