1-(5-ethyloxolan-2-yl)tridecan-1-ol

C19H38O2 — CID 20670075

IUPAC1-(5-ethyloxolan-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1CCC(CC)O1
InChIInChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-18(20)19-16-15-17(4-2)21-19/h17-20H,3-16H2,1-2H3
InChIKeyUNNYHNGIHBKZBX-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.62
Rot. Bonds13

About 1-(5-ethyloxolan-2-yl)tridecan-1-ol

1-(5-ethyloxolan-2-yl)tridecan-1-ol (PubChem CID 20670075) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-(5-ethyloxolan-2-yl)tridecan-1-ol.

Molecular Properties

Compound Name1-(5-ethyloxolan-2-yl)tridecan-1-ol
PubChem CID20670075
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name1-(5-ethyloxolan-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1CCC(CC)O1
InChIInChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-18(20)19-16-15-17(4-2)21-19/h17-20H,3-16H2,1-2H3
InChIKeyUNNYHNGIHBKZBX-UHFFFAOYSA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(5-ethyloxolan-2-yl)tridecan-1-ol?
The IUPAC name of 1-(5-ethyloxolan-2-yl)tridecan-1-ol (CID 20670075) is 1-(5-ethyloxolan-2-yl)tridecan-1-ol.
What is the SMILES notation for 1-(5-ethyloxolan-2-yl)tridecan-1-ol?
The canonical SMILES for 1-(5-ethyloxolan-2-yl)tridecan-1-ol is CCCCCCCCCCCCC(O)C1CCC(CC)O1.
What is the InChIKey of 1-(5-ethyloxolan-2-yl)tridecan-1-ol?
The InChIKey is UNNYHNGIHBKZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-18(20)19-16-15-17(4-2)21-19/h17-20H,3-16H2,1-2H3.
What are the key properties of 1-(5-ethyloxolan-2-yl)tridecan-1-ol?
1-(5-ethyloxolan-2-yl)tridecan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 5.62, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyloxolan-2-yl)tridecan-1-ol is sourced from PubChem (CID 20670075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).