cyclododecanol;ethoxyethane

C16H34O2 — CID 70443501

IUPACcyclododecanol;ethoxyethane
SMILESCCOCC.OC1CCCCCCCCCCC1
InChIInChI=1S/C12H24O.C4H10O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-3-5-4-2/h12-13H,1-11H2;3-4H2,1-2H3
InChIKeyXDJWMJKSRYGEDZ-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.69
Rot. Bonds2

About cyclododecanol;ethoxyethane

cyclododecanol;ethoxyethane (PubChem CID 70443501) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is cyclododecanol;ethoxyethane.

Molecular Properties

Compound Namecyclododecanol;ethoxyethane
PubChem CID70443501
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Namecyclododecanol;ethoxyethane
SMILESCCOCC.OC1CCCCCCCCCCC1
InChIInChI=1S/C12H24O.C4H10O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-3-5-4-2/h12-13H,1-11H2;3-4H2,1-2H3
InChIKeyXDJWMJKSRYGEDZ-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclododecanol;ethoxyethane?
The IUPAC name of cyclododecanol;ethoxyethane (CID 70443501) is cyclododecanol;ethoxyethane.
What is the SMILES notation for cyclododecanol;ethoxyethane?
The canonical SMILES for cyclododecanol;ethoxyethane is CCOCC.OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecanol;ethoxyethane?
The InChIKey is XDJWMJKSRYGEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C4H10O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-3-5-4-2/h12-13H,1-11H2;3-4H2,1-2H3.
What are the key properties of cyclododecanol;ethoxyethane?
cyclododecanol;ethoxyethane has a molecular weight of 258.45 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecanol;ethoxyethane is sourced from PubChem (CID 70443501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).