2,3,3,4,8-pentamethylundecane

C16H34 — CID 54476600

IUPAC2,3,3,4,8-pentamethylundecane
SMILESCCCC(C)CCCC(C)C(C)(C)C(C)C
InChIInChI=1S/C16H34/c1-8-10-14(4)11-9-12-15(5)16(6,7)13(2)3/h13-15H,8-12H2,1-7H3
InChIKeyVRDZKWZWSBRDBG-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds8

About 2,3,3,4,8-pentamethylundecane

2,3,3,4,8-pentamethylundecane (PubChem CID 54476600) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,3,3,4,8-pentamethylundecane.

Molecular Properties

Compound Name2,3,3,4,8-pentamethylundecane
PubChem CID54476600
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,3,3,4,8-pentamethylundecane
SMILESCCCC(C)CCCC(C)C(C)(C)C(C)C
InChIInChI=1S/C16H34/c1-8-10-14(4)11-9-12-15(5)16(6,7)13(2)3/h13-15H,8-12H2,1-7H3
InChIKeyVRDZKWZWSBRDBG-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,3,4-tetramethylnonadecane
CID 174953704
12-heptyl-11-hexyl-2,3,3,4,11,12-hexamethylnonadecane
CID 91509924
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4,8,14-trimethyltetratriacontane
CID 6431076
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
6-methylnonan-2-amine
CID 64502929
2,9,13-trimethylhexadecane
CID 123827297
6-methylnonan-2-ol
CID 19931334
4-methylheptane;pentane
CID 142501546
4-methylheptane;propane
CID 142171269
4-methyltritriacontane
CID 71346224

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,8-pentamethylundecane?
The IUPAC name of 2,3,3,4,8-pentamethylundecane (CID 54476600) is 2,3,3,4,8-pentamethylundecane.
What is the SMILES notation for 2,3,3,4,8-pentamethylundecane?
The canonical SMILES for 2,3,3,4,8-pentamethylundecane is CCCC(C)CCCC(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,4,8-pentamethylundecane?
The InChIKey is VRDZKWZWSBRDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-8-10-14(4)11-9-12-15(5)16(6,7)13(2)3/h13-15H,8-12H2,1-7H3.
What are the key properties of 2,3,3,4,8-pentamethylundecane?
2,3,3,4,8-pentamethylundecane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,8-pentamethylundecane is sourced from PubChem (CID 54476600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).