1,6-dimethylcycloundecane

C13H26 — CID 91298161

IUPAC1,6-dimethylcycloundecane
SMILESCC1CCCCCC(C)CCCC1
InChIInChI=1S/C13H26/c1-12-8-4-3-5-9-13(2)11-7-6-10-12/h12-13H,3-11H2,1-2H3
InChIKeyTXYQOIHZSYUWMT-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds

About 1,6-dimethylcycloundecane

1,6-dimethylcycloundecane (PubChem CID 91298161) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,6-dimethylcycloundecane.

Molecular Properties

Compound Name1,6-dimethylcycloundecane
PubChem CID91298161
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,6-dimethylcycloundecane
SMILESCC1CCCCCC(C)CCCC1
InChIInChI=1S/C13H26/c1-12-8-4-3-5-9-13(2)11-7-6-10-12/h12-13H,3-11H2,1-2H3
InChIKeyTXYQOIHZSYUWMT-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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methane;methylcyclohexane
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ethane;methylcyclohexane;methylcyclopentane
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methylcyclopentane
CID 7296
ethane;methylcyclohexane;dihydrate
CID 144526565
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylcycloundecane?
The IUPAC name of 1,6-dimethylcycloundecane (CID 91298161) is 1,6-dimethylcycloundecane.
What is the SMILES notation for 1,6-dimethylcycloundecane?
The canonical SMILES for 1,6-dimethylcycloundecane is CC1CCCCCC(C)CCCC1.
What is the InChIKey of 1,6-dimethylcycloundecane?
The InChIKey is TXYQOIHZSYUWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-12-8-4-3-5-9-13(2)11-7-6-10-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1,6-dimethylcycloundecane?
1,6-dimethylcycloundecane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylcycloundecane is sourced from PubChem (CID 91298161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).