1,3-bis(dec-9-enoxy)cyclohexane

C26H48O2 — CID 142724778

IUPAC1,3-bis(dec-9-enoxy)cyclohexane
SMILESC=CCCCCCCCCOC1CCCC(OCCCCCCCCC=C)C1
InChIInChI=1S/C26H48O2/c1-3-5-7-9-11-13-15-17-22-27-25-20-19-21-26(24-25)28-23-18-16-14-12-10-8-6-4-2/h3-4,25-26H,1-2,5-24H2
InChIKeyJUDQNIIGIWWILW-UHFFFAOYSA-N
MW392.67 g/mol
LogP8.16
Rot. Bonds20

About 1,3-bis(dec-9-enoxy)cyclohexane

1,3-bis(dec-9-enoxy)cyclohexane (PubChem CID 142724778) has the molecular formula C26H48O2 and a molecular weight of 392.67 g/mol. Its IUPAC name is 1,3-bis(dec-9-enoxy)cyclohexane.

Molecular Properties

Compound Name1,3-bis(dec-9-enoxy)cyclohexane
PubChem CID142724778
Molecular FormulaC26H48O2
Molecular Weight392.67 g/mol
Exact Mass392.37
IUPAC Name1,3-bis(dec-9-enoxy)cyclohexane
SMILESC=CCCCCCCCCOC1CCCC(OCCCCCCCCC=C)C1
InChIInChI=1S/C26H48O2/c1-3-5-7-9-11-13-15-17-22-27-25-20-19-21-26(24-25)28-23-18-16-14-12-10-8-6-4-2/h3-4,25-26H,1-2,5-24H2
InChIKeyJUDQNIIGIWWILW-UHFFFAOYSA-N
XLogP8.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(dec-9-enoxy)cyclohexane?
The IUPAC name of 1,3-bis(dec-9-enoxy)cyclohexane (CID 142724778) is 1,3-bis(dec-9-enoxy)cyclohexane.
What is the SMILES notation for 1,3-bis(dec-9-enoxy)cyclohexane?
The canonical SMILES for 1,3-bis(dec-9-enoxy)cyclohexane is C=CCCCCCCCCOC1CCCC(OCCCCCCCCC=C)C1.
What is the InChIKey of 1,3-bis(dec-9-enoxy)cyclohexane?
The InChIKey is JUDQNIIGIWWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O2/c1-3-5-7-9-11-13-15-17-22-27-25-20-19-21-26(24-25)28-23-18-16-14-12-10-8-6-4-2/h3-4,25-26H,1-2,5-24H2.
What are the key properties of 1,3-bis(dec-9-enoxy)cyclohexane?
1,3-bis(dec-9-enoxy)cyclohexane has a molecular weight of 392.67 g/mol, XLogP of 8.16, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dec-9-enoxy)cyclohexane is sourced from PubChem (CID 142724778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).