3,3,5-trimethylnonane

C12H26 — CID 53424862

IUPAC3,3,5-trimethylnonane
SMILESCCCCC(C)CC(C)(C)CC
InChIInChI=1S/C12H26/c1-6-8-9-11(3)10-12(4,5)7-2/h11H,6-10H2,1-5H3
InChIKeyKRWQPUYFIGHZNF-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds6

About 3,3,5-trimethylnonane

3,3,5-trimethylnonane (PubChem CID 53424862) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 3,3,5-trimethylnonane.

Molecular Properties

Compound Name3,3,5-trimethylnonane
PubChem CID53424862
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name3,3,5-trimethylnonane
SMILESCCCCC(C)CC(C)(C)CC
InChIInChI=1S/C12H26/c1-6-8-9-11(3)10-12(4,5)7-2/h11H,6-10H2,1-5H3
InChIKeyKRWQPUYFIGHZNF-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
5-butyl-3,3-dimethylnonane
CID 123518865
hexane;2,2,4-trimethyloctane
CID 174278610
6,6,8-trimethyltridecane
CID 123736183
3,3-dimethylpentane;2-methylhexane
CID 158289309
3,3-difluoro-5-methylnonane
CID 165405619
3,3,5,7-tetramethyldecane
CID 57491663
4,4,6,12-tetramethyloctadecane
CID 123154666
pentane;7,7,9-trimethylpentadecane
CID 161309819
5,5-dimethylnonane;5-methylnonane
CID 158755954
3-methylheptane-1,1,1-triol
CID 141376698
2,2,5,8,10,10-hexamethyldodecane
CID 177102228

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylnonane?
The IUPAC name of 3,3,5-trimethylnonane (CID 53424862) is 3,3,5-trimethylnonane.
What is the SMILES notation for 3,3,5-trimethylnonane?
The canonical SMILES for 3,3,5-trimethylnonane is CCCCC(C)CC(C)(C)CC.
What is the InChIKey of 3,3,5-trimethylnonane?
The InChIKey is KRWQPUYFIGHZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-6-8-9-11(3)10-12(4,5)7-2/h11H,6-10H2,1-5H3.
What are the key properties of 3,3,5-trimethylnonane?
3,3,5-trimethylnonane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylnonane is sourced from PubChem (CID 53424862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).