1-(3-methyloxiran-2-yl)tridecan-1-ol

C16H32O2 — CID 134993285

IUPAC1-(3-methyloxiran-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1OC1C
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-15(17)16-14(2)18-16/h14-17H,3-13H2,1-2H3
InChIKeyYGJWIQFQWLODPP-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.45
Rot. Bonds12

About 1-(3-methyloxiran-2-yl)tridecan-1-ol

1-(3-methyloxiran-2-yl)tridecan-1-ol (PubChem CID 134993285) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(3-methyloxiran-2-yl)tridecan-1-ol.

Molecular Properties

Compound Name1-(3-methyloxiran-2-yl)tridecan-1-ol
PubChem CID134993285
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(3-methyloxiran-2-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1OC1C
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-15(17)16-14(2)18-16/h14-17H,3-13H2,1-2H3
InChIKeyYGJWIQFQWLODPP-UHFFFAOYSA-N
XLogP4.45
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.45
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'}

Analyze 1-(3-methyloxiran-2-yl)tridecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxiran-2-yl)tridecan-1-ol?
The IUPAC name of 1-(3-methyloxiran-2-yl)tridecan-1-ol (CID 134993285) is 1-(3-methyloxiran-2-yl)tridecan-1-ol.
What is the SMILES notation for 1-(3-methyloxiran-2-yl)tridecan-1-ol?
The canonical SMILES for 1-(3-methyloxiran-2-yl)tridecan-1-ol is CCCCCCCCCCCCC(O)C1OC1C.
What is the InChIKey of 1-(3-methyloxiran-2-yl)tridecan-1-ol?
The InChIKey is YGJWIQFQWLODPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-15(17)16-14(2)18-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(3-methyloxiran-2-yl)tridecan-1-ol?
1-(3-methyloxiran-2-yl)tridecan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxiran-2-yl)tridecan-1-ol is sourced from PubChem (CID 134993285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).