tris(3,4-diethylheptane);methane

C34H76 — CID 160558798

IUPACtris(3,4-diethylheptane);methane
SMILESC.CCCC(CC)C(CC)CC.CCCC(CC)C(CC)CC.CCCC(CC)C(CC)CC
InChIInChI=1S/3C11H24.CH4/c3*1-5-9-11(8-4)10(6-2)7-3;/h3*10-11H,5-9H2,1-4H3;1H4
InChIKeyQZAPUJHMCLVPNW-UHFFFAOYSA-N
MW484.98 g/mol
LogP13.38
Rot. Bonds18

About tris(3,4-diethylheptane);methane

tris(3,4-diethylheptane);methane (PubChem CID 160558798) has the molecular formula C34H76 and a molecular weight of 484.98 g/mol. Its IUPAC name is tris(3,4-diethylheptane);methane.

Molecular Properties

Compound Nametris(3,4-diethylheptane);methane
PubChem CID160558798
Molecular FormulaC34H76
Molecular Weight484.98 g/mol
Exact Mass484.59
IUPAC Nametris(3,4-diethylheptane);methane
SMILESC.CCCC(CC)C(CC)CC.CCCC(CC)C(CC)CC.CCCC(CC)C(CC)CC
InChIInChI=1S/3C11H24.CH4/c3*1-5-9-11(8-4)10(6-2)7-3;/h3*10-11H,5-9H2,1-4H3;1H4
InChIKeyQZAPUJHMCLVPNW-UHFFFAOYSA-N
XLogP13.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-diethylheptane;ethane
CID 144734225
4,5-diethyloctane
CID 519254
4,5-diethylnonane
CID 21188862
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
4,5,6,7-tetraethyldecane
CID 101052128
(3R)-3-ethyl-2-methylhexane
CID 59954424
7-ethyl-6-propyltridecane
CID 530352
6-ethyl-2,5-dimethylnonane
CID 54499682
3-ethyl-2-methylhexan-1-amine
CID 91121737
3,4,5-triethyloctane
CID 57492611
4-ethyl-3-methylheptan-1-amine
CID 143231179
7-ethyl-3,6-dimethyldecane
CID 57491785

Frequently Asked Questions

What is the IUPAC name of tris(3,4-diethylheptane);methane?
The IUPAC name of tris(3,4-diethylheptane);methane (CID 160558798) is tris(3,4-diethylheptane);methane.
What is the SMILES notation for tris(3,4-diethylheptane);methane?
The canonical SMILES for tris(3,4-diethylheptane);methane is C.CCCC(CC)C(CC)CC.CCCC(CC)C(CC)CC.CCCC(CC)C(CC)CC.
What is the InChIKey of tris(3,4-diethylheptane);methane?
The InChIKey is QZAPUJHMCLVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H24.CH4/c3*1-5-9-11(8-4)10(6-2)7-3;/h3*10-11H,5-9H2,1-4H3;1H4.
What are the key properties of tris(3,4-diethylheptane);methane?
tris(3,4-diethylheptane);methane has a molecular weight of 484.98 g/mol, XLogP of 13.38, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,4-diethylheptane);methane is sourced from PubChem (CID 160558798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).