2-ethyl-2-methyltridecan-1-ol

C16H34O — CID 545928

IUPAC2-ethyl-2-methyltridecan-1-ol
SMILESCCCCCCCCCCCC(C)(CC)CO
InChIInChI=1S/C16H34O/c1-4-6-7-8-9-10-11-12-13-14-16(3,5-2)15-17/h17H,4-15H2,1-3H3
InChIKeyRHGHBLSDPQFOTE-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.32
Rot. Bonds12

About 2-ethyl-2-methyltridecan-1-ol

2-ethyl-2-methyltridecan-1-ol (PubChem CID 545928) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-ethyl-2-methyltridecan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methyltridecan-1-ol
PubChem CID545928
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name2-ethyl-2-methyltridecan-1-ol
SMILESCCCCCCCCCCCC(C)(CC)CO
InChIInChI=1S/C16H34O/c1-4-6-7-8-9-10-11-12-13-14-16(3,5-2)15-17/h17H,4-15H2,1-3H3
InChIKeyRHGHBLSDPQFOTE-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-ethyl-2-methyltridecan-1-ol?
The IUPAC name of 2-ethyl-2-methyltridecan-1-ol (CID 545928) is 2-ethyl-2-methyltridecan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyltridecan-1-ol?
The canonical SMILES for 2-ethyl-2-methyltridecan-1-ol is CCCCCCCCCCCC(C)(CC)CO.
What is the InChIKey of 2-ethyl-2-methyltridecan-1-ol?
The InChIKey is RHGHBLSDPQFOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-4-6-7-8-9-10-11-12-13-14-16(3,5-2)15-17/h17H,4-15H2,1-3H3.
What are the key properties of 2-ethyl-2-methyltridecan-1-ol?
2-ethyl-2-methyltridecan-1-ol has a molecular weight of 242.45 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyltridecan-1-ol is sourced from PubChem (CID 545928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).