1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane

C28H48 — CID 19870057

IUPAC1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane
SMILESCCCCC1CCCC(C2(C34CC5CC(CC(C5)C3)C4)CCCCCCC2)C1
InChIInChI=1S/C28H48/c1-2-3-10-22-11-9-12-26(18-22)28(13-7-5-4-6-8-14-28)27-19-23-15-24(20-27)17-25(16-23)21-27/h22-26H,2-21H2,1H3
InChIKeyOGVFWSFGNMFVAU-UHFFFAOYSA-N
MW384.69 g/mol
LogP8.93
Rot. Bonds5

About 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane

1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane (PubChem CID 19870057) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane.

Molecular Properties

Compound Name1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane
PubChem CID19870057
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane
SMILESCCCCC1CCCC(C2(C34CC5CC(CC(C5)C3)C4)CCCCCCC2)C1
InChIInChI=1S/C28H48/c1-2-3-10-22-11-9-12-26(18-22)28(13-7-5-4-6-8-14-28)27-19-23-15-24(20-27)17-25(16-23)21-27/h22-26H,2-21H2,1H3
InChIKeyOGVFWSFGNMFVAU-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-heptyl-1-methylbicyclo[5.1.0]octane
CID 143295924
1,3-diheptylcyclohexane
CID 19973333
1,3-dipentylcyclohexane
CID 54105663
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
tetradecylcyclododecane
CID 169026037
octylcyclotetradecane
CID 175261841
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
3-heptylcyclohexan-1-ol
CID 64515801

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane?
The IUPAC name of 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane (CID 19870057) is 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane.
What is the SMILES notation for 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane?
The canonical SMILES for 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane is CCCCC1CCCC(C2(C34CC5CC(CC(C5)C3)C4)CCCCCCC2)C1.
What is the InChIKey of 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane?
The InChIKey is OGVFWSFGNMFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-2-3-10-22-11-9-12-26(18-22)28(13-7-5-4-6-8-14-28)27-19-23-15-24(20-27)17-25(16-23)21-27/h22-26H,2-21H2,1H3.
What are the key properties of 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane?
1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane has a molecular weight of 384.69 g/mol, XLogP of 8.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane is sourced from PubChem (CID 19870057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).