(7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate

C16H24O2 — CID 118265355

IUPAC(7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCC)CC2CC1C1CCC21
InChIInChI=1S/C16H24O2/c1-4-7-16(18-15(17)10(2)3)9-11-8-14(16)13-6-5-12(11)13/h11-14H,2,4-9H2,1,3H3
InChIKeyCDHFWXRJJIKMIG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds4

About (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate

(7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate (PubChem CID 118265355) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate
PubChem CID118265355
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCC)CC2CC1C1CCC21
InChIInChI=1S/C16H24O2/c1-4-7-16(18-15(17)10(2)3)9-11-8-14(16)13-6-5-12(11)13/h11-14H,2,4-9H2,1,3H3
InChIKeyCDHFWXRJJIKMIG-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
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-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate?
The IUPAC name of (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate (CID 118265355) is (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate?
The canonical SMILES for (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCC)CC2CC1C1CCC21.
What is the InChIKey of (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate?
The InChIKey is CDHFWXRJJIKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-7-16(18-15(17)10(2)3)9-11-8-14(16)13-6-5-12(11)13/h11-14H,2,4-9H2,1,3H3.
What are the key properties of (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate?
(7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate has a molecular weight of 248.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 118265355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).