2-cyclododecylpropan-1-ol;ethanol

C17H36O2 — CID 69400645

IUPAC2-cyclododecylpropan-1-ol;ethanol
SMILESCC(CO)C1CCCCCCCCCCC1.CCO
InChIInChI=1S/C15H30O.C2H6O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15;1-2-3/h14-16H,2-13H2,1H3;3H,2H2,1H3
InChIKeyJPJXUBMDDJQNRK-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.53
Rot. Bonds2

About 2-cyclododecylpropan-1-ol;ethanol

2-cyclododecylpropan-1-ol;ethanol (PubChem CID 69400645) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2-cyclododecylpropan-1-ol;ethanol.

Molecular Properties

Compound Name2-cyclododecylpropan-1-ol;ethanol
PubChem CID69400645
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2-cyclododecylpropan-1-ol;ethanol
SMILESCC(CO)C1CCCCCCCCCCC1.CCO
InChIInChI=1S/C15H30O.C2H6O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15;1-2-3/h14-16H,2-13H2,1H3;3H,2H2,1H3
InChIKeyJPJXUBMDDJQNRK-UHFFFAOYSA-N
XLogP4.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclododecylpropan-1-ol;ethanol?
The IUPAC name of 2-cyclododecylpropan-1-ol;ethanol (CID 69400645) is 2-cyclododecylpropan-1-ol;ethanol.
What is the SMILES notation for 2-cyclododecylpropan-1-ol;ethanol?
The canonical SMILES for 2-cyclododecylpropan-1-ol;ethanol is CC(CO)C1CCCCCCCCCCC1.CCO.
What is the InChIKey of 2-cyclododecylpropan-1-ol;ethanol?
The InChIKey is JPJXUBMDDJQNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O.C2H6O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15;1-2-3/h14-16H,2-13H2,1H3;3H,2H2,1H3.
What are the key properties of 2-cyclododecylpropan-1-ol;ethanol?
2-cyclododecylpropan-1-ol;ethanol has a molecular weight of 272.47 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclododecylpropan-1-ol;ethanol is sourced from PubChem (CID 69400645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).