1,1-di(cyclooctyl)cyclooctane

C24H44 — CID 23107007

IUPAC1,1-di(cyclooctyl)cyclooctane
SMILESC1CCCC(C2(C3CCCCCCC3)CCCCCCC2)CCC1
InChIInChI=1S/C24H44/c1-4-10-16-22(17-11-5-1)24(20-14-8-3-9-15-21-24)23-18-12-6-2-7-13-19-23/h22-23H,1-21H2
InChIKeyIUOCLTQQQSPKHC-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.44
Rot. Bonds2

About 1,1-di(cyclooctyl)cyclooctane

1,1-di(cyclooctyl)cyclooctane (PubChem CID 23107007) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1,1-di(cyclooctyl)cyclooctane.

Molecular Properties

Compound Name1,1-di(cyclooctyl)cyclooctane
PubChem CID23107007
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1,1-di(cyclooctyl)cyclooctane
SMILESC1CCCC(C2(C3CCCCCCC3)CCCCCCC2)CCC1
InChIInChI=1S/C24H44/c1-4-10-16-22(17-11-5-1)24(20-14-8-3-9-15-21-24)23-18-12-6-2-7-13-19-23/h22-23H,1-21H2
InChIKeyIUOCLTQQQSPKHC-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclooctyl)cyclooctane?
The IUPAC name of 1,1-di(cyclooctyl)cyclooctane (CID 23107007) is 1,1-di(cyclooctyl)cyclooctane.
What is the SMILES notation for 1,1-di(cyclooctyl)cyclooctane?
The canonical SMILES for 1,1-di(cyclooctyl)cyclooctane is C1CCCC(C2(C3CCCCCCC3)CCCCCCC2)CCC1.
What is the InChIKey of 1,1-di(cyclooctyl)cyclooctane?
The InChIKey is IUOCLTQQQSPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-4-10-16-22(17-11-5-1)24(20-14-8-3-9-15-21-24)23-18-12-6-2-7-13-19-23/h22-23H,1-21H2.
What are the key properties of 1,1-di(cyclooctyl)cyclooctane?
1,1-di(cyclooctyl)cyclooctane has a molecular weight of 332.62 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclooctyl)cyclooctane is sourced from PubChem (CID 23107007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).