4,4-dimethylpentylcycloundecane

C18H36 — CID 176613669

IUPAC4,4-dimethylpentylcycloundecane
SMILESCC(C)(C)CCCC1CCCCCCCCCC1
InChIInChI=1S/C18H36/c1-18(2,3)16-12-15-17-13-10-8-6-4-5-7-9-11-14-17/h17H,4-16H2,1-3H3
InChIKeyHYRZGBJYGVUTLM-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.73
Rot. Bonds3

About 4,4-dimethylpentylcycloundecane

4,4-dimethylpentylcycloundecane (PubChem CID 176613669) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 4,4-dimethylpentylcycloundecane.

Molecular Properties

Compound Name4,4-dimethylpentylcycloundecane
PubChem CID176613669
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name4,4-dimethylpentylcycloundecane
SMILESCC(C)(C)CCCC1CCCCCCCCCC1
InChIInChI=1S/C18H36/c1-18(2,3)16-12-15-17-13-10-8-6-4-5-7-9-11-14-17/h17H,4-16H2,1-3H3
InChIKeyHYRZGBJYGVUTLM-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dimethylbutylcycloheptane;5,5-dimethylhexylcycloheptane;5,5-dimethylhexylcyclohexane;4,4-dimethylpentylcycloheptane;4,4-dimethylpentylcyclohexane;2,2-dimethylpropylcycloheptane
CID 157446599
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclobutylpropylcyclohexane
CID 54165208
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
4,4,4-trifluorobutylcyclopentane
CID 149313516
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
octylcyclotetradecane
CID 175261841
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
3-cyclohexylpropan-1-amine;ethane
CID 143945055
tetradecylcyclododecane
CID 169026037

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentylcycloundecane?
The IUPAC name of 4,4-dimethylpentylcycloundecane (CID 176613669) is 4,4-dimethylpentylcycloundecane.
What is the SMILES notation for 4,4-dimethylpentylcycloundecane?
The canonical SMILES for 4,4-dimethylpentylcycloundecane is CC(C)(C)CCCC1CCCCCCCCCC1.
What is the InChIKey of 4,4-dimethylpentylcycloundecane?
The InChIKey is HYRZGBJYGVUTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-18(2,3)16-12-15-17-13-10-8-6-4-5-7-9-11-14-17/h17H,4-16H2,1-3H3.
What are the key properties of 4,4-dimethylpentylcycloundecane?
4,4-dimethylpentylcycloundecane has a molecular weight of 252.49 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentylcycloundecane is sourced from PubChem (CID 176613669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).