3,4,5,6,8-pentamethyldecane

C15H32 — CID 123810037

IUPAC3,4,5,6,8-pentamethyldecane
SMILESCCC(C)CC(C)C(C)C(C)C(C)CC
InChIInChI=1S/C15H32/c1-8-11(3)10-13(5)15(7)14(6)12(4)9-2/h11-15H,8-10H2,1-7H3
InChIKeySUIVGWCWSXCWNS-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.38
Rot. Bonds7

About 3,4,5,6,8-pentamethyldecane

3,4,5,6,8-pentamethyldecane (PubChem CID 123810037) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3,4,5,6,8-pentamethyldecane.

Molecular Properties

Compound Name3,4,5,6,8-pentamethyldecane
PubChem CID123810037
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3,4,5,6,8-pentamethyldecane
SMILESCCC(C)CC(C)C(C)C(C)C(C)CC
InChIInChI=1S/C15H32/c1-8-11(3)10-13(5)15(7)14(6)12(4)9-2/h11-15H,8-10H2,1-7H3
InChIKeySUIVGWCWSXCWNS-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-2,3,5-trimethylheptane
CID 59882960
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
2,3,5,6,8-pentamethyldecane
CID 123990465
3,4,5,7-tetramethylundecane
CID 123179058
5-ethyl-3,6,8-trimethyldecane
CID 173141656
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
4-ethyl-2,3,5,7-tetramethylnonane
CID 123258187
3,5-dimethylheptane;ethane
CID 172617343
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
CID 162191243
(3R,6S)-3-fluoro-4,6-dimethyloctane
CID 134189007
(4S)-2,3,4-trimethylhexane
CID 58359072

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,8-pentamethyldecane?
The IUPAC name of 3,4,5,6,8-pentamethyldecane (CID 123810037) is 3,4,5,6,8-pentamethyldecane.
What is the SMILES notation for 3,4,5,6,8-pentamethyldecane?
The canonical SMILES for 3,4,5,6,8-pentamethyldecane is CCC(C)CC(C)C(C)C(C)C(C)CC.
What is the InChIKey of 3,4,5,6,8-pentamethyldecane?
The InChIKey is SUIVGWCWSXCWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-8-11(3)10-13(5)15(7)14(6)12(4)9-2/h11-15H,8-10H2,1-7H3.
What are the key properties of 3,4,5,6,8-pentamethyldecane?
3,4,5,6,8-pentamethyldecane has a molecular weight of 212.42 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,8-pentamethyldecane is sourced from PubChem (CID 123810037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).