6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane

C36H68 — CID 162228402

IUPAC6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
SMILESCC1CCCCC(C2CCC(C)CCC(C3CCCCC(C)CC3)C2)CC1.CC1CCCCCCC1
InChIInChI=1S/C27H50.C9H18/c1-21-8-4-6-10-24(16-12-21)26-18-14-23(3)15-19-27(20-26)25-11-7-5-9-22(2)13-17-25;1-9-7-5-3-2-4-6-8-9/h21-27H,4-20H2,1-3H3;9H,2-8H2,1H3
InChIKeyZVBQDPHMNNMWRH-UHFFFAOYSA-N
MW500.94 g/mol
LogP12.40
Rot. Bonds2

About 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane

6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane (PubChem CID 162228402) has the molecular formula C36H68 and a molecular weight of 500.94 g/mol. Its IUPAC name is 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane.

Molecular Properties

Compound Name6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
PubChem CID162228402
Molecular FormulaC36H68
Molecular Weight500.94 g/mol
Exact Mass500.53
IUPAC Name6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
SMILESCC1CCCCC(C2CCC(C)CCC(C3CCCCC(C)CC3)C2)CC1.CC1CCCCCCC1
InChIInChI=1S/C27H50.C9H18/c1-21-8-4-6-10-24(16-12-21)26-18-14-23(3)15-19-27(20-26)25-11-7-5-9-22(2)13-17-25;1-9-7-5-3-2-4-6-8-9/h21-27H,4-20H2,1-3H3;9H,2-8H2,1H3
InChIKeyZVBQDPHMNNMWRH-UHFFFAOYSA-N
XLogP12.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.94
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
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
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
2-hydroxy-4-(4-methylcycloundecyl)cyclohexane-1-carboxylic acid
CID 166966633
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane?
The IUPAC name of 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane (CID 162228402) is 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane.
What is the SMILES notation for 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane?
The canonical SMILES for 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane is CC1CCCCC(C2CCC(C)CCC(C3CCCCC(C)CC3)C2)CC1.CC1CCCCCCC1.
What is the InChIKey of 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane?
The InChIKey is ZVBQDPHMNNMWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50.C9H18/c1-21-8-4-6-10-24(16-12-21)26-18-14-23(3)15-19-27(20-26)25-11-7-5-9-22(2)13-17-25;1-9-7-5-3-2-4-6-8-9/h21-27H,4-20H2,1-3H3;9H,2-8H2,1H3.
What are the key properties of 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane?
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane has a molecular weight of 500.94 g/mol, XLogP of 12.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane is sourced from PubChem (CID 162228402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).