[(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane

C19H32O — CID 101131298

IUPAC[(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane
SMILESC=C[C@H]1CC[C@@H](/C=C/C2CCCCC2)[C@H]1OC(C)(C)C
InChIInChI=1S/C19H32O/c1-5-16-13-14-17(18(16)20-19(2,3)4)12-11-15-9-7-6-8-10-15/h5,11-12,15-18H,1,6-10,13-14H2,2-4H3/b12-11+/t16-,17+,18-/m0/s1
InChIKeySREXNZIFEVWZTA-ANPJYKQMSA-N
MW276.46 g/mol
LogP5.52
Rot. Bonds4

About [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane

[(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane (PubChem CID 101131298) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane
PubChem CID101131298
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name[(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane
SMILESC=C[C@H]1CC[C@@H](/C=C/C2CCCCC2)[C@H]1OC(C)(C)C
InChIInChI=1S/C19H32O/c1-5-16-13-14-17(18(16)20-19(2,3)4)12-11-15-9-7-6-8-10-15/h5,11-12,15-18H,1,6-10,13-14H2,2-4H3/b12-11+/t16-,17+,18-/m0/s1
InChIKeySREXNZIFEVWZTA-ANPJYKQMSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane?
The IUPAC name of [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane (CID 101131298) is [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane?
The canonical SMILES for [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane is C=C[C@H]1CC[C@@H](/C=C/C2CCCCC2)[C@H]1OC(C)(C)C.
What is the InChIKey of [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane?
The InChIKey is SREXNZIFEVWZTA-ANPJYKQMSA-N. The full InChI is InChI=1S/C19H32O/c1-5-16-13-14-17(18(16)20-19(2,3)4)12-11-15-9-7-6-8-10-15/h5,11-12,15-18H,1,6-10,13-14H2,2-4H3/b12-11+/t16-,17+,18-/m0/s1.
What are the key properties of [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane?
[(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane has a molecular weight of 276.46 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(1S,2S,3R)-3-ethenyl-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]ethenyl]cyclohexane is sourced from PubChem (CID 101131298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).