1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene

C21H24O2 — CID 15418788

IUPAC1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene
SMILESC=C[C@H]1CC[C@@H](/C=C/c2cccc3ccccc23)[C@H]1OCOC
InChIInChI=1S/C21H24O2/c1-3-16-11-13-19(21(16)23-15-22-2)14-12-18-9-6-8-17-7-4-5-10-20(17)18/h3-10,12,14,16,19,21H,1,11,13,15H2,2H3/b14-12+/t16-,19-,21-/m0/s1
InChIKeyVZBOJOXCJJFQRZ-WXYBZZACSA-N
MW308.42 g/mol
LogP5.05
Rot. Bonds6

About 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene

1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene (PubChem CID 15418788) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene
PubChem CID15418788
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene
SMILESC=C[C@H]1CC[C@@H](/C=C/c2cccc3ccccc23)[C@H]1OCOC
InChIInChI=1S/C21H24O2/c1-3-16-11-13-19(21(16)23-15-22-2)14-12-18-9-6-8-17-7-4-5-10-20(17)18/h3-10,12,14,16,19,21H,1,11,13,15H2,2H3/b14-12+/t16-,19-,21-/m0/s1
InChIKeyVZBOJOXCJJFQRZ-WXYBZZACSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene?
The IUPAC name of 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene (CID 15418788) is 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene.
What is the SMILES notation for 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene?
The canonical SMILES for 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene is C=C[C@H]1CC[C@@H](/C=C/c2cccc3ccccc23)[C@H]1OCOC.
What is the InChIKey of 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene?
The InChIKey is VZBOJOXCJJFQRZ-WXYBZZACSA-N. The full InChI is InChI=1S/C21H24O2/c1-3-16-11-13-19(21(16)23-15-22-2)14-12-18-9-6-8-17-7-4-5-10-20(17)18/h3-10,12,14,16,19,21H,1,11,13,15H2,2H3/b14-12+/t16-,19-,21-/m0/s1.
What are the key properties of 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene?
1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene has a molecular weight of 308.42 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene is sourced from PubChem (CID 15418788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).