1,5-di(cyclooctyl)-3-methylcyclooctane

C25H46 — CID 123162765

IUPAC1,5-di(cyclooctyl)-3-methylcyclooctane
SMILESCC1CC(C2CCCCCCC2)CCCC(C2CCCCCCC2)C1
InChIInChI=1S/C25H46/c1-21-19-24(22-13-8-4-2-5-9-14-22)17-12-18-25(20-21)23-15-10-6-3-7-11-16-23/h21-25H,2-20H2,1H3
InChIKeyDPAAWSMGZNBVQF-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.54
Rot. Bonds2

About 1,5-di(cyclooctyl)-3-methylcyclooctane

1,5-di(cyclooctyl)-3-methylcyclooctane (PubChem CID 123162765) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1,5-di(cyclooctyl)-3-methylcyclooctane.

Molecular Properties

Compound Name1,5-di(cyclooctyl)-3-methylcyclooctane
PubChem CID123162765
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1,5-di(cyclooctyl)-3-methylcyclooctane
SMILESCC1CC(C2CCCCCCC2)CCCC(C2CCCCCCC2)C1
InChIInChI=1S/C25H46/c1-21-19-24(22-13-8-4-2-5-9-14-22)17-12-18-25(20-21)23-15-10-6-3-7-11-16-23/h21-25H,2-20H2,1H3
InChIKeyDPAAWSMGZNBVQF-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5-di(cyclooctyl)-3-methylcyclooctane with MolForge

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

Launch Full Analysis

Related Compounds

5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cyclodecyl-6-methylcycloundecane
CID 123480440

Frequently Asked Questions

What is the IUPAC name of 1,5-di(cyclooctyl)-3-methylcyclooctane?
The IUPAC name of 1,5-di(cyclooctyl)-3-methylcyclooctane (CID 123162765) is 1,5-di(cyclooctyl)-3-methylcyclooctane.
What is the SMILES notation for 1,5-di(cyclooctyl)-3-methylcyclooctane?
The canonical SMILES for 1,5-di(cyclooctyl)-3-methylcyclooctane is CC1CC(C2CCCCCCC2)CCCC(C2CCCCCCC2)C1.
What is the InChIKey of 1,5-di(cyclooctyl)-3-methylcyclooctane?
The InChIKey is DPAAWSMGZNBVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-21-19-24(22-13-8-4-2-5-9-14-22)17-12-18-25(20-21)23-15-10-6-3-7-11-16-23/h21-25H,2-20H2,1H3.
What are the key properties of 1,5-di(cyclooctyl)-3-methylcyclooctane?
1,5-di(cyclooctyl)-3-methylcyclooctane has a molecular weight of 346.64 g/mol, XLogP of 8.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(cyclooctyl)-3-methylcyclooctane is sourced from PubChem (CID 123162765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).