dodecan-1-ol;methanol;oxolane

C17H38O3 — CID 174811054

IUPACdodecan-1-ol;methanol;oxolane
SMILESC1CCOC1.CCCCCCCCCCCCO.CO
InChIInChI=1S/C12H26O.C4H8O.CH4O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-4-5-3-1;1-2/h13H,2-12H2,1H3;1-4H2;2H,1H3
InChIKeyQKWMVAUIGWASPQ-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.30
Rot. Bonds10

About dodecan-1-ol;methanol;oxolane

dodecan-1-ol;methanol;oxolane (PubChem CID 174811054) has the molecular formula C17H38O3 and a molecular weight of 290.49 g/mol. Its IUPAC name is dodecan-1-ol;methanol;oxolane.

Molecular Properties

Compound Namedodecan-1-ol;methanol;oxolane
PubChem CID174811054
Molecular FormulaC17H38O3
Molecular Weight290.49 g/mol
Exact Mass290.28
IUPAC Namedodecan-1-ol;methanol;oxolane
SMILESC1CCOC1.CCCCCCCCCCCCO.CO
InChIInChI=1S/C12H26O.C4H8O.CH4O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-4-5-3-1;1-2/h13H,2-12H2,1H3;1-4H2;2H,1H3
InChIKeyQKWMVAUIGWASPQ-UHFFFAOYSA-N
XLogP4.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decan-1-ol;oxolane;hydrate
CID 174935070
butan-1-ol;oxolane;hydrate
CID 68989617
dioxane;hexan-1-ol
CID 174438988
cyclopentane;heptan-1-ol
CID 67743397
decan-1-ol;hydrofluoride
CID 158778674
hexadecan-1-ol;pentane
CID 175595419
methanol;pentadecan-1-ol
CID 172780604
cyclohexane;bis(pentan-1-ol)
CID 159060972
cycloheptane;bis(pentan-1-ol)
CID 140562210
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
decane;decan-1-ol
CID 22418527

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;methanol;oxolane?
The IUPAC name of dodecan-1-ol;methanol;oxolane (CID 174811054) is dodecan-1-ol;methanol;oxolane.
What is the SMILES notation for dodecan-1-ol;methanol;oxolane?
The canonical SMILES for dodecan-1-ol;methanol;oxolane is C1CCOC1.CCCCCCCCCCCCO.CO.
What is the InChIKey of dodecan-1-ol;methanol;oxolane?
The InChIKey is QKWMVAUIGWASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C4H8O.CH4O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-4-5-3-1;1-2/h13H,2-12H2,1H3;1-4H2;2H,1H3.
What are the key properties of dodecan-1-ol;methanol;oxolane?
dodecan-1-ol;methanol;oxolane has a molecular weight of 290.49 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;methanol;oxolane is sourced from PubChem (CID 174811054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).