1,3-dicyclohexyl-2,7-dimethylcyclodecane

C24H44 — CID 20676902

IUPAC1,3-dicyclohexyl-2,7-dimethylcyclodecane
SMILESCC1CCCC(C2CCCCC2)C(C)C(C2CCCCC2)CCC1
InChIInChI=1S/C24H44/c1-19-11-9-17-23(21-13-5-3-6-14-21)20(2)24(18-10-12-19)22-15-7-4-8-16-22/h19-24H,3-18H2,1-2H3
InChIKeySQDHDESEAXJUMO-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.01
Rot. Bonds2

About 1,3-dicyclohexyl-2,7-dimethylcyclodecane

1,3-dicyclohexyl-2,7-dimethylcyclodecane (PubChem CID 20676902) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2,7-dimethylcyclodecane.

Molecular Properties

Compound Name1,3-dicyclohexyl-2,7-dimethylcyclodecane
PubChem CID20676902
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1,3-dicyclohexyl-2,7-dimethylcyclodecane
SMILESCC1CCCC(C2CCCCC2)C(C)C(C2CCCCC2)CCC1
InChIInChI=1S/C24H44/c1-19-11-9-17-23(21-13-5-3-6-14-21)20(2)24(18-10-12-19)22-15-7-4-8-16-22/h19-24H,3-18H2,1-2H3
InChIKeySQDHDESEAXJUMO-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 143294229
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 159024570
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
cyclohexane;methylcyclopentane
CID 20788572

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2,7-dimethylcyclodecane?
The IUPAC name of 1,3-dicyclohexyl-2,7-dimethylcyclodecane (CID 20676902) is 1,3-dicyclohexyl-2,7-dimethylcyclodecane.
What is the SMILES notation for 1,3-dicyclohexyl-2,7-dimethylcyclodecane?
The canonical SMILES for 1,3-dicyclohexyl-2,7-dimethylcyclodecane is CC1CCCC(C2CCCCC2)C(C)C(C2CCCCC2)CCC1.
What is the InChIKey of 1,3-dicyclohexyl-2,7-dimethylcyclodecane?
The InChIKey is SQDHDESEAXJUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-19-11-9-17-23(21-13-5-3-6-14-21)20(2)24(18-10-12-19)22-15-7-4-8-16-22/h19-24H,3-18H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-2,7-dimethylcyclodecane?
1,3-dicyclohexyl-2,7-dimethylcyclodecane has a molecular weight of 332.62 g/mol, XLogP of 8.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2,7-dimethylcyclodecane is sourced from PubChem (CID 20676902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).