1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane

C22H40 — CID 162472459

IUPAC1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
SMILESCC1CCCC(C2CCC(C3CCCCCCC3)C2)CCC1
InChIInChI=1S/C22H40/c1-18-9-7-13-20(14-8-10-18)22-16-15-21(17-22)19-11-5-3-2-4-6-12-19/h18-22H,2-17H2,1H3
InChIKeyCAGIBBXBKZIRFU-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.37
Rot. Bonds2

About 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane

1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane (PubChem CID 162472459) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane.

Molecular Properties

Compound Name1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
PubChem CID162472459
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
SMILESCC1CCCC(C2CCC(C3CCCCCCC3)C2)CCC1
InChIInChI=1S/C22H40/c1-18-9-7-13-20(14-8-10-18)22-16-15-21(17-22)19-11-5-3-2-4-6-12-19/h18-22H,2-17H2,1H3
InChIKeyCAGIBBXBKZIRFU-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane?
The IUPAC name of 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane (CID 162472459) is 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane.
What is the SMILES notation for 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane?
The canonical SMILES for 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane is CC1CCCC(C2CCC(C3CCCCCCC3)C2)CCC1.
What is the InChIKey of 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane?
The InChIKey is CAGIBBXBKZIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-18-9-7-13-20(14-8-10-18)22-16-15-21(17-22)19-11-5-3-2-4-6-12-19/h18-22H,2-17H2,1H3.
What are the key properties of 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane?
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane has a molecular weight of 304.56 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane is sourced from PubChem (CID 162472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).