5,6-diethyldodecane

C16H34 — CID 90761715

IUPAC5,6-diethyldodecane
SMILESCCCCCCC(CC)C(CC)CCCC
InChIInChI=1S/C16H34/c1-5-9-11-12-14-16(8-4)15(7-3)13-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyHGYFPKFQXXYTFJ-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds11

About 5,6-diethyldodecane

5,6-diethyldodecane (PubChem CID 90761715) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5,6-diethyldodecane.

Molecular Properties

Compound Name5,6-diethyldodecane
PubChem CID90761715
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5,6-diethyldodecane
SMILESCCCCCCC(CC)C(CC)CCCC
InChIInChI=1S/C16H34/c1-5-9-11-12-14-16(8-4)15(7-3)13-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyHGYFPKFQXXYTFJ-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-butyl-6-ethyldodecane
CID 529932
9,10-diethyloctadecane
CID 530164
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
7-ethyl-6-propyltridecane
CID 530352
8,9-dibutylhexadecane
CID 530025
8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
4,5-diethylnonane
CID 21188862
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
11-butyl-12-methyldocosane
CID 151619606

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyldodecane?
The IUPAC name of 5,6-diethyldodecane (CID 90761715) is 5,6-diethyldodecane.
What is the SMILES notation for 5,6-diethyldodecane?
The canonical SMILES for 5,6-diethyldodecane is CCCCCCC(CC)C(CC)CCCC.
What is the InChIKey of 5,6-diethyldodecane?
The InChIKey is HGYFPKFQXXYTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-9-11-12-14-16(8-4)15(7-3)13-10-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 5,6-diethyldodecane?
5,6-diethyldodecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyldodecane is sourced from PubChem (CID 90761715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).