1-cyclodecyl-6-methylcycloundecane

C22H42 — CID 123480440

IUPAC1-cyclodecyl-6-methylcycloundecane
SMILESCC1CCCCCC(C2CCCCCCCCC2)CCCC1
InChIInChI=1S/C22H42/c1-20-14-8-7-11-18-22(19-13-12-15-20)21-16-9-5-3-2-4-6-10-17-21/h20-22H,2-19H2,1H3
InChIKeyMMJILKPNOVUUAD-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.90
Rot. Bonds1

About 1-cyclodecyl-6-methylcycloundecane

1-cyclodecyl-6-methylcycloundecane (PubChem CID 123480440) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 1-cyclodecyl-6-methylcycloundecane.

Molecular Properties

Compound Name1-cyclodecyl-6-methylcycloundecane
PubChem CID123480440
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name1-cyclodecyl-6-methylcycloundecane
SMILESCC1CCCCCC(C2CCCCCCCCC2)CCCC1
InChIInChI=1S/C22H42/c1-20-14-8-7-11-18-22(19-13-12-15-20)21-16-9-5-3-2-4-6-10-17-21/h20-22H,2-19H2,1H3
InChIKeyMMJILKPNOVUUAD-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
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
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
gallane;methylcyclohexane
CID 174461507

Frequently Asked Questions

What is the IUPAC name of 1-cyclodecyl-6-methylcycloundecane?
The IUPAC name of 1-cyclodecyl-6-methylcycloundecane (CID 123480440) is 1-cyclodecyl-6-methylcycloundecane.
What is the SMILES notation for 1-cyclodecyl-6-methylcycloundecane?
The canonical SMILES for 1-cyclodecyl-6-methylcycloundecane is CC1CCCCCC(C2CCCCCCCCC2)CCCC1.
What is the InChIKey of 1-cyclodecyl-6-methylcycloundecane?
The InChIKey is MMJILKPNOVUUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-20-14-8-7-11-18-22(19-13-12-15-20)21-16-9-5-3-2-4-6-10-17-21/h20-22H,2-19H2,1H3.
What are the key properties of 1-cyclodecyl-6-methylcycloundecane?
1-cyclodecyl-6-methylcycloundecane has a molecular weight of 306.58 g/mol, XLogP of 7.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclodecyl-6-methylcycloundecane is sourced from PubChem (CID 123480440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).