(5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene

C22H32O — CID 134983108

IUPAC(5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=C[C@@H]1CC[C@H](OC(C)(C)C)[C@@]1(C)CC/C=c1\ccccc1=C
InChIInChI=1S/C22H32O/c1-7-19-14-15-20(23-21(3,4)5)22(19,6)16-10-13-18-12-9-8-11-17(18)2/h7-9,11-13,19-20H,1-2,10,14-16H2,3-6H3/b18-13+/t19-,20+,22+/m1/s1
InChIKeyFGQOSFQOLKZHTF-KGXPHSQFSA-N
MW312.50 g/mol
LogP4.44
Rot. Bonds5

About (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene

(5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene (PubChem CID 134983108) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene
PubChem CID134983108
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name(5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=C[C@@H]1CC[C@H](OC(C)(C)C)[C@@]1(C)CC/C=c1\ccccc1=C
InChIInChI=1S/C22H32O/c1-7-19-14-15-20(23-21(3,4)5)22(19,6)16-10-13-18-12-9-8-11-17(18)2/h7-9,11-13,19-20H,1-2,10,14-16H2,3-6H3/b18-13+/t19-,20+,22+/m1/s1
InChIKeyFGQOSFQOLKZHTF-KGXPHSQFSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.44
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 (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene (CID 134983108) is (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene is C=C[C@@H]1CC[C@H](OC(C)(C)C)[C@@]1(C)CC/C=c1\ccccc1=C.
What is the InChIKey of (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene?
The InChIKey is FGQOSFQOLKZHTF-KGXPHSQFSA-N. The full InChI is InChI=1S/C22H32O/c1-7-19-14-15-20(23-21(3,4)5)22(19,6)16-10-13-18-12-9-8-11-17(18)2/h7-9,11-13,19-20H,1-2,10,14-16H2,3-6H3/b18-13+/t19-,20+,22+/m1/s1.
What are the key properties of (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene?
(5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene has a molecular weight of 312.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 134983108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).