2,5,6,9,10,10-hexamethyltridecane

C19H40 — CID 144617214

IUPAC2,5,6,9,10,10-hexamethyltridecane
SMILESCCCC(C)(C)C(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C19H40/c1-9-14-19(7,8)18(6)13-12-17(5)16(4)11-10-15(2)3/h15-18H,9-14H2,1-8H3
InChIKeyHBBJEPQMOURQAP-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.94
Rot. Bonds10

About 2,5,6,9,10,10-hexamethyltridecane

2,5,6,9,10,10-hexamethyltridecane (PubChem CID 144617214) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 2,5,6,9,10,10-hexamethyltridecane.

Molecular Properties

Compound Name2,5,6,9,10,10-hexamethyltridecane
PubChem CID144617214
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name2,5,6,9,10,10-hexamethyltridecane
SMILESCCCC(C)(C)C(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C19H40/c1-9-14-19(7,8)18(6)13-12-17(5)16(4)11-10-15(2)3/h15-18H,9-14H2,1-8H3
InChIKeyHBBJEPQMOURQAP-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,5,5,6-tetramethyloctane
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2,5,5,6,9,13,16,17,18-nonamethylicosane
CID 123674031
ethane;2,2,4,4,5,8-hexamethylnonane
CID 145376568
4,4,6-trimethylnonane-5-thiol
CID 166952501
4,5,5-trimethyldodecane
CID 123360574
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
6-(4,5,5-trimethyloctylsulfanyl)hexan-1-ol
CID 170440311
(5R)-5,6,6-trimethylnonan-3-amine
CID 88967140
2,3,6-trimethylheptan-2-ol
CID 59087571

Frequently Asked Questions

What is the IUPAC name of 2,5,6,9,10,10-hexamethyltridecane?
The IUPAC name of 2,5,6,9,10,10-hexamethyltridecane (CID 144617214) is 2,5,6,9,10,10-hexamethyltridecane.
What is the SMILES notation for 2,5,6,9,10,10-hexamethyltridecane?
The canonical SMILES for 2,5,6,9,10,10-hexamethyltridecane is CCCC(C)(C)C(C)CCC(C)C(C)CCC(C)C.
What is the InChIKey of 2,5,6,9,10,10-hexamethyltridecane?
The InChIKey is HBBJEPQMOURQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-9-14-19(7,8)18(6)13-12-17(5)16(4)11-10-15(2)3/h15-18H,9-14H2,1-8H3.
What are the key properties of 2,5,6,9,10,10-hexamethyltridecane?
2,5,6,9,10,10-hexamethyltridecane has a molecular weight of 268.53 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,9,10,10-hexamethyltridecane is sourced from PubChem (CID 144617214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).