5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane

C28H52 — CID 58552401

IUPAC5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
SMILESCC1CCC(C2CCCCC(C)CC(C)CC(C3CCCCC3)CCC2)CC1
InChIInChI=1S/C28H52/c1-22-16-18-27(19-17-22)25-13-8-7-10-23(2)20-24(3)21-28(15-9-14-25)26-11-5-4-6-12-26/h22-28H,4-21H2,1-3H3
InChIKeyMPDLWVAIXWULCB-UHFFFAOYSA-N
MW388.72 g/mol
LogP9.42
Rot. Bonds2

About 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane

5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane (PubChem CID 58552401) has the molecular formula C28H52 and a molecular weight of 388.72 g/mol. Its IUPAC name is 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane.

Molecular Properties

Compound Name5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
PubChem CID58552401
Molecular FormulaC28H52
Molecular Weight388.72 g/mol
Exact Mass388.41
IUPAC Name5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
SMILESCC1CCC(C2CCCCC(C)CC(C)CC(C3CCCCC3)CCC2)CC1
InChIInChI=1S/C28H52/c1-22-16-18-27(19-17-22)25-13-8-7-10-23(2)20-24(3)21-28(15-9-14-25)26-11-5-4-6-12-26/h22-28H,4-21H2,1-3H3
InChIKeyMPDLWVAIXWULCB-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.72
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
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1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
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6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
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
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1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
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1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane?
The IUPAC name of 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane (CID 58552401) is 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane.
What is the SMILES notation for 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane?
The canonical SMILES for 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane is CC1CCC(C2CCCCC(C)CC(C)CC(C3CCCCC3)CCC2)CC1.
What is the InChIKey of 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane?
The InChIKey is MPDLWVAIXWULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52/c1-22-16-18-27(19-17-22)25-13-8-7-10-23(2)20-24(3)21-28(15-9-14-25)26-11-5-4-6-12-26/h22-28H,4-21H2,1-3H3.
What are the key properties of 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane?
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane has a molecular weight of 388.72 g/mol, XLogP of 9.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane is sourced from PubChem (CID 58552401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).