[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate

C16H24O2 — CID 18448252

IUPAC[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@@H]1CC2CCCC3CCCC1C32
InChIInChI=1S/C16H24O2/c1-10(2)16(17)18-14-9-12-7-3-5-11-6-4-8-13(14)15(11)12/h11-15H,1,3-9H2,2H3/t11?,12?,13?,14-,15?/m1/s1
InChIKeyPUVLZEVRCSSNCV-WRHSUISWSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds2

About [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate

[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate (PubChem CID 18448252) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate
PubChem CID18448252
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@@H]1CC2CCCC3CCCC1C32
InChIInChI=1S/C16H24O2/c1-10(2)16(17)18-14-9-12-7-3-5-11-6-4-8-13(14)15(11)12/h11-15H,1,3-9H2,2H3/t11?,12?,13?,14-,15?/m1/s1
InChIKeyPUVLZEVRCSSNCV-WRHSUISWSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate (CID 18448252) is [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)O[C@@H]1CC2CCCC3CCCC1C32.
What is the InChIKey of [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate?
The InChIKey is PUVLZEVRCSSNCV-WRHSUISWSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)16(17)18-14-9-12-7-3-5-11-6-4-8-13(14)15(11)12/h11-15H,1,3-9H2,2H3/t11?,12?,13?,14-,15?/m1/s1.
What are the key properties of [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate?
[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate has a molecular weight of 248.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 18448252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).