2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol

C18H26O3 — CID 142295513

IUPAC2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol
SMILESC=C/C(=C\C(=C/C)OC)CCC1=CCCC=C1OCCO
InChIInChI=1S/C18H26O3/c1-4-15(14-17(5-2)20-3)10-11-16-8-6-7-9-18(16)21-13-12-19/h4-5,8-9,14,19H,1,6-7,10-13H2,2-3H3/b15-14+,17-5+
InChIKeyLIKHMJCLFWYHPU-VHQIZTPCSA-N
MW290.40 g/mol
LogP4.04
Rot. Bonds9

About 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol

2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol (PubChem CID 142295513) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol
PubChem CID142295513
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol
SMILESC=C/C(=C\C(=C/C)OC)CCC1=CCCC=C1OCCO
InChIInChI=1S/C18H26O3/c1-4-15(14-17(5-2)20-3)10-11-16-8-6-7-9-18(16)21-13-12-19/h4-5,8-9,14,19H,1,6-7,10-13H2,2-3H3/b15-14+,17-5+
InChIKeyLIKHMJCLFWYHPU-VHQIZTPCSA-N
XLogP4.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
The IUPAC name of 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol (CID 142295513) is 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol is C=C/C(=C\C(=C/C)OC)CCC1=CCCC=C1OCCO.
What is the InChIKey of 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
The InChIKey is LIKHMJCLFWYHPU-VHQIZTPCSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-15(14-17(5-2)20-3)10-11-16-8-6-7-9-18(16)21-13-12-19/h4-5,8-9,14,19H,1,6-7,10-13H2,2-3H3/b15-14+,17-5+.
What are the key properties of 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol has a molecular weight of 290.40 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol is sourced from PubChem (CID 142295513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).