1-(oxiran-2-ylmethyl)cyclododecan-1-ol

C15H28O2 — CID 59365112

IUPAC1-(oxiran-2-ylmethyl)cyclododecan-1-ol
SMILESOC1(CC2CO2)CCCCCCCCCCC1
InChIInChI=1S/C15H28O2/c16-15(12-14-13-17-14)10-8-6-4-2-1-3-5-7-9-11-15/h14,16H,1-13H2
InChIKeyYCYFQXSQRGFCGN-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.81
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)cyclododecan-1-ol

1-(oxiran-2-ylmethyl)cyclododecan-1-ol (PubChem CID 59365112) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)cyclododecan-1-ol.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)cyclododecan-1-ol
PubChem CID59365112
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(oxiran-2-ylmethyl)cyclododecan-1-ol
SMILESOC1(CC2CO2)CCCCCCCCCCC1
InChIInChI=1S/C15H28O2/c16-15(12-14-13-17-14)10-8-6-4-2-1-3-5-7-9-11-15/h14,16H,1-13H2
InChIKeyYCYFQXSQRGFCGN-UHFFFAOYSA-N
XLogP3.81
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)cyclododecan-1-ol?
The IUPAC name of 1-(oxiran-2-ylmethyl)cyclododecan-1-ol (CID 59365112) is 1-(oxiran-2-ylmethyl)cyclododecan-1-ol.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)cyclododecan-1-ol?
The canonical SMILES for 1-(oxiran-2-ylmethyl)cyclododecan-1-ol is OC1(CC2CO2)CCCCCCCCCCC1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)cyclododecan-1-ol?
The InChIKey is YCYFQXSQRGFCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c16-15(12-14-13-17-14)10-8-6-4-2-1-3-5-7-9-11-15/h14,16H,1-13H2.
What are the key properties of 1-(oxiran-2-ylmethyl)cyclododecan-1-ol?
1-(oxiran-2-ylmethyl)cyclododecan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)cyclododecan-1-ol is sourced from PubChem (CID 59365112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).