(4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate

C16H22O2 — CID 152795273

IUPAC(4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)C2CC3CC4CC1C42C3
InChIInChI=1S/C16H22O2/c1-4-16(18-14(17)9(2)3)12-6-10-5-11-7-13(16)15(11,12)8-10/h10-13H,2,4-8H2,1,3H3
InChIKeySLLRHKLYEAQSDK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.32
Rot. Bonds3

About (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate

(4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate (PubChem CID 152795273) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate
PubChem CID152795273
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)C2CC3CC4CC1C42C3
InChIInChI=1S/C16H22O2/c1-4-16(18-14(17)9(2)3)12-6-10-5-11-7-13(16)15(11,12)8-10/h10-13H,2,4-8H2,1,3H3
InChIKeySLLRHKLYEAQSDK-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.32
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-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate?
The IUPAC name of (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate (CID 152795273) is (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CC)C2CC3CC4CC1C42C3.
What is the InChIKey of (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate?
The InChIKey is SLLRHKLYEAQSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-4-16(18-14(17)9(2)3)12-6-10-5-11-7-13(16)15(11,12)8-10/h10-13H,2,4-8H2,1,3H3.
What are the key properties of (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate?
(4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate has a molecular weight of 246.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 152795273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).