4-ethyl-5,6-dimethylheptadecane

C21H44 — CID 123804751

IUPAC4-ethyl-5,6-dimethylheptadecane
SMILESCCCCCCCCCCCC(C)C(C)C(CC)CCC
InChIInChI=1S/C21H44/c1-6-9-10-11-12-13-14-15-16-18-19(4)20(5)21(8-3)17-7-2/h19-21H,6-18H2,1-5H3
InChIKeyIFOWQOXDMXWLDZ-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.01
Rot. Bonds15

About 4-ethyl-5,6-dimethylheptadecane

4-ethyl-5,6-dimethylheptadecane (PubChem CID 123804751) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 4-ethyl-5,6-dimethylheptadecane.

Molecular Properties

Compound Name4-ethyl-5,6-dimethylheptadecane
PubChem CID123804751
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name4-ethyl-5,6-dimethylheptadecane
SMILESCCCCCCCCCCCC(C)C(C)C(CC)CCC
InChIInChI=1S/C21H44/c1-6-9-10-11-12-13-14-15-16-18-19(4)20(5)21(8-3)17-7-2/h19-21H,6-18H2,1-5H3
InChIKeyIFOWQOXDMXWLDZ-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.01
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

6,7-dimethyl-5-propyldodecane
CID 123459990
7-ethyl-6-propyltridecane
CID 530352
4,5,6,7,8,9-hexamethyloctadecane
CID 123746260
8-ethyl-7-methylhexadecane
CID 56974440
3,4,5-trimethyltridecane
CID 21201053
9,10-diethyloctadecane
CID 530164
6-ethyl-2-methyl-7-propylpentadecane
CID 123507470
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
4,5-dimethylnonadecane
CID 123321090
5,6-diethyldodecane
CID 90761715

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,6-dimethylheptadecane?
The IUPAC name of 4-ethyl-5,6-dimethylheptadecane (CID 123804751) is 4-ethyl-5,6-dimethylheptadecane.
What is the SMILES notation for 4-ethyl-5,6-dimethylheptadecane?
The canonical SMILES for 4-ethyl-5,6-dimethylheptadecane is CCCCCCCCCCCC(C)C(C)C(CC)CCC.
What is the InChIKey of 4-ethyl-5,6-dimethylheptadecane?
The InChIKey is IFOWQOXDMXWLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-6-9-10-11-12-13-14-15-16-18-19(4)20(5)21(8-3)17-7-2/h19-21H,6-18H2,1-5H3.
What are the key properties of 4-ethyl-5,6-dimethylheptadecane?
4-ethyl-5,6-dimethylheptadecane has a molecular weight of 296.58 g/mol, XLogP of 8.01, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,6-dimethylheptadecane is sourced from PubChem (CID 123804751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).