5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene

C17H24O2 — CID 88581597

IUPAC5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene
SMILESC=C/C(=C\C=C/C)CCOC(C)OC1C=CC=CC1
InChIInChI=1S/C17H24O2/c1-4-6-10-16(5-2)13-14-18-15(3)19-17-11-8-7-9-12-17/h4-11,15,17H,2,12-14H2,1,3H3/b6-4-,16-10+
InChIKeyQSVPYLLRICUGSY-OGTPZPDLSA-N
MW260.38 g/mol
LogP4.33
Rot. Bonds8

About 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene

5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene (PubChem CID 88581597) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene
PubChem CID88581597
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene
SMILESC=C/C(=C\C=C/C)CCOC(C)OC1C=CC=CC1
InChIInChI=1S/C17H24O2/c1-4-6-10-16(5-2)13-14-18-15(3)19-17-11-8-7-9-12-17/h4-11,15,17H,2,12-14H2,1,3H3/b6-4-,16-10+
InChIKeyQSVPYLLRICUGSY-OGTPZPDLSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene?
The IUPAC name of 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene (CID 88581597) is 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene?
The canonical SMILES for 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene is C=C/C(=C\C=C/C)CCOC(C)OC1C=CC=CC1.
What is the InChIKey of 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene?
The InChIKey is QSVPYLLRICUGSY-OGTPZPDLSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-6-10-16(5-2)13-14-18-15(3)19-17-11-8-7-9-12-17/h4-11,15,17H,2,12-14H2,1,3H3/b6-4-,16-10+.
What are the key properties of 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene?
5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene has a molecular weight of 260.38 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 88581597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).