5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene

C25H40O6 — CID 70804355

IUPAC5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene
SMILESCC/C=C\C(C)OCCOC1C=CC=CC1OCCOC1=C(OCCOC)CCCC1
InChIInChI=1S/C25H40O6/c1-4-5-10-21(2)27-17-18-29-24-13-8-9-14-25(24)31-20-19-30-23-12-7-6-11-22(23)28-16-15-26-3/h5,8-10,13-14,21,24-25H,4,6-7,11-12,15-20H2,1-3H3/b10-5-
InChIKeyZAFBCCMGGBZFRF-YHYXMXQVSA-N
MW436.59 g/mol
LogP4.72
Rot. Bonds16

About 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene

5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene (PubChem CID 70804355) has the molecular formula C25H40O6 and a molecular weight of 436.59 g/mol. Its IUPAC name is 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene
PubChem CID70804355
Molecular FormulaC25H40O6
Molecular Weight436.59 g/mol
Exact Mass436.28
IUPAC Name5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene
SMILESCC/C=C\C(C)OCCOC1C=CC=CC1OCCOC1=C(OCCOC)CCCC1
InChIInChI=1S/C25H40O6/c1-4-5-10-21(2)27-17-18-29-24-13-8-9-14-25(24)31-20-19-30-23-12-7-6-11-22(23)28-16-15-26-3/h5,8-10,13-14,21,24-25H,4,6-7,11-12,15-20H2,1-3H3/b10-5-
InChIKeyZAFBCCMGGBZFRF-YHYXMXQVSA-N
XLogP4.72
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene?
The IUPAC name of 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene (CID 70804355) is 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene?
The canonical SMILES for 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene is CC/C=C\C(C)OCCOC1C=CC=CC1OCCOC1=C(OCCOC)CCCC1.
What is the InChIKey of 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene?
The InChIKey is ZAFBCCMGGBZFRF-YHYXMXQVSA-N. The full InChI is InChI=1S/C25H40O6/c1-4-5-10-21(2)27-17-18-29-24-13-8-9-14-25(24)31-20-19-30-23-12-7-6-11-22(23)28-16-15-26-3/h5,8-10,13-14,21,24-25H,4,6-7,11-12,15-20H2,1-3H3/b10-5-.
What are the key properties of 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene?
5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene has a molecular weight of 436.59 g/mol, XLogP of 4.72, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(Z)-hex-3-en-2-yl]oxyethoxy]-6-[2-[2-(2-methoxyethoxy)cyclohexen-1-yl]oxyethoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 70804355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).