3,5,6-trimethyldecane

C13H28 — CID 57490917

IUPAC3,5,6-trimethyldecane
SMILESCCCCC(C)C(C)CC(C)CC
InChIInChI=1S/C13H28/c1-6-8-9-12(4)13(5)10-11(3)7-2/h11-13H,6-10H2,1-5H3
InChIKeyKCNSJPOTKRKBMJ-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds7

About 3,5,6-trimethyldecane

3,5,6-trimethyldecane (PubChem CID 57490917) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,5,6-trimethyldecane.

Molecular Properties

Compound Name3,5,6-trimethyldecane
PubChem CID57490917
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,5,6-trimethyldecane
SMILESCCCCC(C)C(C)CC(C)CC
InChIInChI=1S/C13H28/c1-6-8-9-12(4)13(5)10-11(3)7-2/h11-13H,6-10H2,1-5H3
InChIKeyKCNSJPOTKRKBMJ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6-dimethyl-5-propan-2-yldecane
CID 123254389
5-butyl-3-methyldodecane
CID 91590933
5,6,14,15-tetramethylnonadecane
CID 123473711
2,4,5,7-tetramethylundecane
CID 91373064
3,4-dimethyloctane-1,1-diamine
CID 156699535
3,5-diethyl-4,7,8-trimethyldodecane
CID 123740222
3-methyl-N-propan-2-ylnonan-5-amine
CID 79413294
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
3,6,8,9-tetramethyltridec-4-ene
CID 123991866
3-methylheptane;nickel
CID 158967838
3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
7-ethyl-3-methylundecan-5-amine
CID 115806452

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyldecane?
The IUPAC name of 3,5,6-trimethyldecane (CID 57490917) is 3,5,6-trimethyldecane.
What is the SMILES notation for 3,5,6-trimethyldecane?
The canonical SMILES for 3,5,6-trimethyldecane is CCCCC(C)C(C)CC(C)CC.
What is the InChIKey of 3,5,6-trimethyldecane?
The InChIKey is KCNSJPOTKRKBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-8-9-12(4)13(5)10-11(3)7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 3,5,6-trimethyldecane?
3,5,6-trimethyldecane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyldecane is sourced from PubChem (CID 57490917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).