1,3-di(nonoxy)cyclohexane

C24H48O2 — CID 142724797

IUPAC1,3-di(nonoxy)cyclohexane
SMILESCCCCCCCCCOC1CCCC(OCCCCCCCCC)C1
InChIInChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-20-25-23-18-17-19-24(22-23)26-21-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
InChIKeyIDQNRBFCBGTXHU-UHFFFAOYSA-N
MW368.65 g/mol
LogP7.83
Rot. Bonds18

About 1,3-di(nonoxy)cyclohexane

1,3-di(nonoxy)cyclohexane (PubChem CID 142724797) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 1,3-di(nonoxy)cyclohexane.

Molecular Properties

Compound Name1,3-di(nonoxy)cyclohexane
PubChem CID142724797
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name1,3-di(nonoxy)cyclohexane
SMILESCCCCCCCCCOC1CCCC(OCCCCCCCCC)C1
InChIInChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-20-25-23-18-17-19-24(22-23)26-21-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
InChIKeyIDQNRBFCBGTXHU-UHFFFAOYSA-N
XLogP7.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(nonoxy)cyclohexane?
The IUPAC name of 1,3-di(nonoxy)cyclohexane (CID 142724797) is 1,3-di(nonoxy)cyclohexane.
What is the SMILES notation for 1,3-di(nonoxy)cyclohexane?
The canonical SMILES for 1,3-di(nonoxy)cyclohexane is CCCCCCCCCOC1CCCC(OCCCCCCCCC)C1.
What is the InChIKey of 1,3-di(nonoxy)cyclohexane?
The InChIKey is IDQNRBFCBGTXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-20-25-23-18-17-19-24(22-23)26-21-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3.
What are the key properties of 1,3-di(nonoxy)cyclohexane?
1,3-di(nonoxy)cyclohexane has a molecular weight of 368.65 g/mol, XLogP of 7.83, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(nonoxy)cyclohexane is sourced from PubChem (CID 142724797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).