1,3-didecoxycyclohexane

C26H52O2 — CID 142724739

IUPAC1,3-didecoxycyclohexane
SMILESCCCCCCCCCCOC1CCCC(OCCCCCCCCCC)C1
InChIInChI=1S/C26H52O2/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/h25-26H,3-24H2,1-2H3
InChIKeyNNRVAFDPTRVCNO-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.61
Rot. Bonds20

About 1,3-didecoxycyclohexane

1,3-didecoxycyclohexane (PubChem CID 142724739) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 1,3-didecoxycyclohexane.

Molecular Properties

Compound Name1,3-didecoxycyclohexane
PubChem CID142724739
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name1,3-didecoxycyclohexane
SMILESCCCCCCCCCCOC1CCCC(OCCCCCCCCCC)C1
InChIInChI=1S/C26H52O2/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/h25-26H,3-24H2,1-2H3
InChIKeyNNRVAFDPTRVCNO-UHFFFAOYSA-N
XLogP8.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.61
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-didecoxycyclohexane?
The IUPAC name of 1,3-didecoxycyclohexane (CID 142724739) is 1,3-didecoxycyclohexane.
What is the SMILES notation for 1,3-didecoxycyclohexane?
The canonical SMILES for 1,3-didecoxycyclohexane is CCCCCCCCCCOC1CCCC(OCCCCCCCCCC)C1.
What is the InChIKey of 1,3-didecoxycyclohexane?
The InChIKey is NNRVAFDPTRVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/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/h25-26H,3-24H2,1-2H3.
What are the key properties of 1,3-didecoxycyclohexane?
1,3-didecoxycyclohexane has a molecular weight of 396.70 g/mol, XLogP of 8.61, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-didecoxycyclohexane is sourced from PubChem (CID 142724739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).