1,3,5-trimethylcyclododecane

C15H30 — CID 123355776

IUPAC1,3,5-trimethylcyclododecane
SMILESCC1CCCCCCCC(C)CC(C)C1
InChIInChI=1S/C15H30/c1-13-9-7-5-4-6-8-10-14(2)12-15(3)11-13/h13-15H,4-12H2,1-3H3
InChIKeyRWBXGIKVVNRBEM-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds

About 1,3,5-trimethylcyclododecane

1,3,5-trimethylcyclododecane (PubChem CID 123355776) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,3,5-trimethylcyclododecane.

Molecular Properties

Compound Name1,3,5-trimethylcyclododecane
PubChem CID123355776
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,3,5-trimethylcyclododecane
SMILESCC1CCCCCCCC(C)CC(C)C1
InChIInChI=1S/C15H30/c1-13-9-7-5-4-6-8-10-14(2)12-15(3)11-13/h13-15H,4-12H2,1-3H3
InChIKeyRWBXGIKVVNRBEM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
(1R)-1,3-dimethylcyclohexane
CID 12594306
CID 175388606
CID 175388606
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
ethane;methylcyclooctane;molecular hydrogen
CID 142068181
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
gallane;methylcyclohexane
CID 174461507
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
methylcyclopentane
CID 7296

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylcyclododecane?
The IUPAC name of 1,3,5-trimethylcyclododecane (CID 123355776) is 1,3,5-trimethylcyclododecane.
What is the SMILES notation for 1,3,5-trimethylcyclododecane?
The canonical SMILES for 1,3,5-trimethylcyclododecane is CC1CCCCCCCC(C)CC(C)C1.
What is the InChIKey of 1,3,5-trimethylcyclododecane?
The InChIKey is RWBXGIKVVNRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-13-9-7-5-4-6-8-10-14(2)12-15(3)11-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 1,3,5-trimethylcyclododecane?
1,3,5-trimethylcyclododecane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylcyclododecane is sourced from PubChem (CID 123355776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).