1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene

C21H34O — CID 58048734

IUPAC1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene
SMILESC=C(C)C/C=C(/C)[C@H](C)CCC1=C(O[C@@H](C)/C=C\C)CCC1
InChIInChI=1S/C21H34O/c1-7-9-19(6)22-21-11-8-10-20(21)15-14-18(5)17(4)13-12-16(2)3/h7,9,13,18-19H,2,8,10-12,14-15H2,1,3-6H3/b9-7-,17-13-/t18-,19+/m1/s1
InChIKeyZNEXNKDOEJTDGI-GEXGXDIKSA-N
MW302.50 g/mol
LogP6.73
Rot. Bonds9

About 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene

1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene (PubChem CID 58048734) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene.

Molecular Properties

Compound Name1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene
PubChem CID58048734
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Name1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene
SMILESC=C(C)C/C=C(/C)[C@H](C)CCC1=C(O[C@@H](C)/C=C\C)CCC1
InChIInChI=1S/C21H34O/c1-7-9-19(6)22-21-11-8-10-20(21)15-14-18(5)17(4)13-12-16(2)3/h7,9,13,18-19H,2,8,10-12,14-15H2,1,3-6H3/b9-7-,17-13-/t18-,19+/m1/s1
InChIKeyZNEXNKDOEJTDGI-GEXGXDIKSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 56.73
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 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene?
The IUPAC name of 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene (CID 58048734) is 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene.
What is the SMILES notation for 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene?
The canonical SMILES for 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene is C=C(C)C/C=C(/C)[C@H](C)CCC1=C(O[C@@H](C)/C=C\C)CCC1.
What is the InChIKey of 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene?
The InChIKey is ZNEXNKDOEJTDGI-GEXGXDIKSA-N. The full InChI is InChI=1S/C21H34O/c1-7-9-19(6)22-21-11-8-10-20(21)15-14-18(5)17(4)13-12-16(2)3/h7,9,13,18-19H,2,8,10-12,14-15H2,1,3-6H3/b9-7-,17-13-/t18-,19+/m1/s1.
What are the key properties of 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene?
1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene has a molecular weight of 302.50 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2S)-pent-3-en-2-yl]oxy-2-[(3R,4Z)-3,4,7-trimethylocta-4,7-dienyl]cyclopentene is sourced from PubChem (CID 58048734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).