dodecan-1-ol;methoxyethane

C15H34O2 — CID 174401185

IUPACdodecan-1-ol;methoxyethane
SMILESCCCCCCCCCCCCO.CCOC
InChIInChI=1S/C12H26O.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-4-2/h13H,2-12H2,1H3;3H2,1-2H3
InChIKeyJINKNSRISXSJPG-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.55
Rot. Bonds11

About dodecan-1-ol;methoxyethane

dodecan-1-ol;methoxyethane (PubChem CID 174401185) has the molecular formula C15H34O2 and a molecular weight of 246.43 g/mol. Its IUPAC name is dodecan-1-ol;methoxyethane.

Molecular Properties

Compound Namedodecan-1-ol;methoxyethane
PubChem CID174401185
Molecular FormulaC15H34O2
Molecular Weight246.43 g/mol
Exact Mass246.26
IUPAC Namedodecan-1-ol;methoxyethane
SMILESCCCCCCCCCCCCO.CCOC
InChIInChI=1S/C12H26O.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-4-2/h13H,2-12H2,1H3;3H2,1-2H3
InChIKeyJINKNSRISXSJPG-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;methoxyethane?
The IUPAC name of dodecan-1-ol;methoxyethane (CID 174401185) is dodecan-1-ol;methoxyethane.
What is the SMILES notation for dodecan-1-ol;methoxyethane?
The canonical SMILES for dodecan-1-ol;methoxyethane is CCCCCCCCCCCCO.CCOC.
What is the InChIKey of dodecan-1-ol;methoxyethane?
The InChIKey is JINKNSRISXSJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-4-2/h13H,2-12H2,1H3;3H2,1-2H3.
What are the key properties of dodecan-1-ol;methoxyethane?
dodecan-1-ol;methoxyethane has a molecular weight of 246.43 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;methoxyethane is sourced from PubChem (CID 174401185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).