1,1,5-trimethylcycloundecane

C14H28 — CID 161434950

IUPAC1,1,5-trimethylcycloundecane
SMILESCC1CCCCCCC(C)(C)CCC1
InChIInChI=1S/C14H28/c1-13-9-6-4-5-7-11-14(2,3)12-8-10-13/h13H,4-12H2,1-3H3
InChIKeyVYNFOCLCQKDZON-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds

About 1,1,5-trimethylcycloundecane

1,1,5-trimethylcycloundecane (PubChem CID 161434950) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1,5-trimethylcycloundecane.

Molecular Properties

Compound Name1,1,5-trimethylcycloundecane
PubChem CID161434950
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1,5-trimethylcycloundecane
SMILESCC1CCCCCCC(C)(C)CCC1
InChIInChI=1S/C14H28/c1-13-9-6-4-5-7-11-14(2,3)12-8-10-13/h13H,4-12H2,1-3H3
InChIKeyVYNFOCLCQKDZON-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyldecane
CID 23415
2-Methyloctane
CID 18591
2-Methylundecane
CID 23459
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
2-Methylnonane
CID 13379
2,2,4-Trimethylheptane
CID 26839
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
2,4-Dimethylheptane
CID 16656
4-Methyloctane
CID 16665

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trimethylcycloundecane?
The IUPAC name of 1,1,5-trimethylcycloundecane (CID 161434950) is 1,1,5-trimethylcycloundecane.
What is the SMILES notation for 1,1,5-trimethylcycloundecane?
The canonical SMILES for 1,1,5-trimethylcycloundecane is CC1CCCCCCC(C)(C)CCC1.
What is the InChIKey of 1,1,5-trimethylcycloundecane?
The InChIKey is VYNFOCLCQKDZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-13-9-6-4-5-7-11-14(2,3)12-8-10-13/h13H,4-12H2,1-3H3.
What are the key properties of 1,1,5-trimethylcycloundecane?
1,1,5-trimethylcycloundecane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trimethylcycloundecane is sourced from PubChem (CID 161434950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).