(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene

C20H34O — CID 162880600

IUPAC(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
SMILESC=C[C@](C)(CCC=C(C)C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-8-20(7,15-10-12-18(4)5)21-16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+/t20-/m1/s1
InChIKeyJUVDBJVBQRAZOR-IAERKFLBSA-N
MW290.49 g/mol
LogP6.39
Rot. Bonds10

About (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene

(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene (PubChem CID 162880600) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
PubChem CID162880600
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
SMILESC=C[C@](C)(CCC=C(C)C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-8-20(7,15-10-12-18(4)5)21-16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+/t20-/m1/s1
InChIKeyJUVDBJVBQRAZOR-IAERKFLBSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.39
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 (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene (CID 162880600) is (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene is C=C[C@](C)(CCC=C(C)C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene?
The InChIKey is JUVDBJVBQRAZOR-IAERKFLBSA-N. The full InChI is InChI=1S/C20H34O/c1-8-20(7,15-10-12-18(4)5)21-16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+/t20-/m1/s1.
What are the key properties of (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene?
(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene has a molecular weight of 290.49 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 162880600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).