3-ethyl-3-methylheptadecane

C20H42 — CID 11536486

IUPAC3-ethyl-3-methylheptadecane
SMILESCCCCCCCCCCCCCCC(C)(CC)CC
InChIInChI=1S/C20H42/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4,6-2)7-3/h5-19H2,1-4H3
InChIKeyVVWFTNYAEIQEEJ-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.90
Rot. Bonds15

About 3-ethyl-3-methylheptadecane

3-ethyl-3-methylheptadecane (PubChem CID 11536486) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 3-ethyl-3-methylheptadecane.

Molecular Properties

Compound Name3-ethyl-3-methylheptadecane
PubChem CID11536486
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name3-ethyl-3-methylheptadecane
SMILESCCCCCCCCCCCCCCC(C)(CC)CC
InChIInChI=1S/C20H42/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4,6-2)7-3/h5-19H2,1-4H3
InChIKeyVVWFTNYAEIQEEJ-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.90
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylheptadecane?
The IUPAC name of 3-ethyl-3-methylheptadecane (CID 11536486) is 3-ethyl-3-methylheptadecane.
What is the SMILES notation for 3-ethyl-3-methylheptadecane?
The canonical SMILES for 3-ethyl-3-methylheptadecane is CCCCCCCCCCCCCCC(C)(CC)CC.
What is the InChIKey of 3-ethyl-3-methylheptadecane?
The InChIKey is VVWFTNYAEIQEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20(4,6-2)7-3/h5-19H2,1-4H3.
What are the key properties of 3-ethyl-3-methylheptadecane?
3-ethyl-3-methylheptadecane has a molecular weight of 282.56 g/mol, XLogP of 7.90, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylheptadecane is sourced from PubChem (CID 11536486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).