(7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate

C17H24O2 — CID 143365260

IUPAC(7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C17H24O2/c1-4-17(19-15(18)10(2)3)12-5-11-6-13-14(17)9-16(13,7-11)8-12/h11-14H,2,4-9H2,1,3H3
InChIKeyGOHFYJJDMDBPQW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.71
Rot. Bonds3

About (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate

(7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate (PubChem CID 143365260) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate
PubChem CID143365260
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)C2CC3CC4C1CC4(C3)C2
InChIInChI=1S/C17H24O2/c1-4-17(19-15(18)10(2)3)12-5-11-6-13-14(17)9-16(13,7-11)8-12/h11-14H,2,4-9H2,1,3H3
InChIKeyGOHFYJJDMDBPQW-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.71
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-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate?
The IUPAC name of (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate (CID 143365260) is (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate?
The canonical SMILES for (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CC)C2CC3CC4C1CC4(C3)C2.
What is the InChIKey of (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate?
The InChIKey is GOHFYJJDMDBPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-17(19-15(18)10(2)3)12-5-11-6-13-14(17)9-16(13,7-11)8-12/h11-14H,2,4-9H2,1,3H3.
What are the key properties of (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate?
(7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate has a molecular weight of 260.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-7-tetracyclo[4.3.1.11,4.02,8]undecanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 143365260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).