2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate

C17H26O2 — CID 91020888

IUPAC2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C12CCCC3CC1CC3C2
InChIInChI=1S/C17H26O2/c1-11(2)15(18)19-16(3,4)17-7-5-6-12-8-14(17)9-13(12)10-17/h12-14H,1,5-10H2,2-4H3
InChIKeyILWJBPNSVMJQSE-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.10
Rot. Bonds3

About 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate

2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 91020888) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID91020888
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C12CCCC3CC1CC3C2
InChIInChI=1S/C17H26O2/c1-11(2)15(18)19-16(3,4)17-7-5-6-12-8-14(17)9-13(12)10-17/h12-14H,1,5-10H2,2-4H3
InChIKeyILWJBPNSVMJQSE-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate (CID 91020888) is 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C12CCCC3CC1CC3C2.
What is the InChIKey of 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is ILWJBPNSVMJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11(2)15(18)19-16(3,4)17-7-5-6-12-8-14(17)9-13(12)10-17/h12-14H,1,5-10H2,2-4H3.
What are the key properties of 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate?
2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 262.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 91020888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).