(2-tetradecyloxiran-2-yl)methanol

C17H34O2 — CID 13226348

IUPAC(2-tetradecyloxiran-2-yl)methanol
SMILESCCCCCCCCCCCCCCC1(CO)CO1
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18)16-19-17/h18H,2-16H2,1H3
InChIKeyMFFOWBUXNIQYAH-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.84
Rot. Bonds14

About (2-tetradecyloxiran-2-yl)methanol

(2-tetradecyloxiran-2-yl)methanol (PubChem CID 13226348) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (2-tetradecyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(2-tetradecyloxiran-2-yl)methanol
PubChem CID13226348
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(2-tetradecyloxiran-2-yl)methanol
SMILESCCCCCCCCCCCCCCC1(CO)CO1
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18)16-19-17/h18H,2-16H2,1H3
InChIKeyMFFOWBUXNIQYAH-UHFFFAOYSA-N
XLogP4.84
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-tetradecyloxiran-2-yl)methanol?
The IUPAC name of (2-tetradecyloxiran-2-yl)methanol (CID 13226348) is (2-tetradecyloxiran-2-yl)methanol.
What is the SMILES notation for (2-tetradecyloxiran-2-yl)methanol?
The canonical SMILES for (2-tetradecyloxiran-2-yl)methanol is CCCCCCCCCCCCCCC1(CO)CO1.
What is the InChIKey of (2-tetradecyloxiran-2-yl)methanol?
The InChIKey is MFFOWBUXNIQYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18)16-19-17/h18H,2-16H2,1H3.
What are the key properties of (2-tetradecyloxiran-2-yl)methanol?
(2-tetradecyloxiran-2-yl)methanol has a molecular weight of 270.46 g/mol, XLogP of 4.84, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tetradecyloxiran-2-yl)methanol is sourced from PubChem (CID 13226348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).