3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane

C44H88 — CID 159988764

IUPAC3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
SMILESCC.CC.CC1CCCC(C)CCC1.CC1CCCC(C2CCCC(C)CC(C3CC3)C2)CCC1.CC1CCCCCCC1
InChIInChI=1S/C21H38.C10H20.C9H18.2C2H6/c1-16-6-3-9-18(10-4-7-16)20-11-5-8-17(2)14-21(15-20)19-12-13-19;1-9-5-3-7-10(2)8-4-6-9;1-9-7-5-3-2-4-6-8-9;2*1-2/h16-21H,3-15H2,1-2H3;9-10H,3-8H2,1-2H3;9H,2-8H2,1H3;2*1-2H3
InChIKeyOGRCCMAYSUACLM-UHFFFAOYSA-N
MW617.19 g/mol
LogP15.87
Rot. Bonds2

About 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane

3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane (PubChem CID 159988764) has the molecular formula C44H88 and a molecular weight of 617.19 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
PubChem CID159988764
Molecular FormulaC44H88
Molecular Weight617.19 g/mol
Exact Mass616.69
IUPAC Name3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
SMILESCC.CC.CC1CCCC(C)CCC1.CC1CCCC(C2CCCC(C)CC(C3CC3)C2)CCC1.CC1CCCCCCC1
InChIInChI=1S/C21H38.C10H20.C9H18.2C2H6/c1-16-6-3-9-18(10-4-7-16)20-11-5-8-17(2)14-21(15-20)19-12-13-19;1-9-5-3-7-10(2)8-4-6-9;1-9-7-5-3-2-4-6-8-9;2*1-2/h16-21H,3-15H2,1-2H3;9-10H,3-8H2,1-2H3;9H,2-8H2,1H3;2*1-2H3
InChIKeyOGRCCMAYSUACLM-UHFFFAOYSA-N
XLogP15.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.19
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane?
The IUPAC name of 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane (CID 159988764) is 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane?
The canonical SMILES for 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane is CC.CC.CC1CCCC(C)CCC1.CC1CCCC(C2CCCC(C)CC(C3CC3)C2)CCC1.CC1CCCCCCC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane?
The InChIKey is OGRCCMAYSUACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38.C10H20.C9H18.2C2H6/c1-16-6-3-9-18(10-4-7-16)20-11-5-8-17(2)14-21(15-20)19-12-13-19;1-9-5-3-7-10(2)8-4-6-9;1-9-7-5-3-2-4-6-8-9;2*1-2/h16-21H,3-15H2,1-2H3;9-10H,3-8H2,1-2H3;9H,2-8H2,1H3;2*1-2H3.
What are the key properties of 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane?
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane has a molecular weight of 617.19 g/mol, XLogP of 15.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane is sourced from PubChem (CID 159988764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).