dodecan-1-ol;ethane

C14H32O — CID 87449114

IUPACdodecan-1-ol;ethane
SMILESCC.CCCCCCCCCCCCO
InChIInChI=1S/C12H26O.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2/h13H,2-12H2,1H3;1-2H3
InChIKeyQBNKJTDQNZKZST-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.93
Rot. Bonds10

About dodecan-1-ol;ethane

dodecan-1-ol;ethane (PubChem CID 87449114) has the molecular formula C14H32O and a molecular weight of 216.41 g/mol. Its IUPAC name is dodecan-1-ol;ethane.

Molecular Properties

Compound Namedodecan-1-ol;ethane
PubChem CID87449114
Molecular FormulaC14H32O
Molecular Weight216.41 g/mol
Exact Mass216.25
IUPAC Namedodecan-1-ol;ethane
SMILESCC.CCCCCCCCCCCCO
InChIInChI=1S/C12H26O.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2/h13H,2-12H2,1H3;1-2H3
InChIKeyQBNKJTDQNZKZST-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;ethane?
The IUPAC name of dodecan-1-ol;ethane (CID 87449114) is dodecan-1-ol;ethane.
What is the SMILES notation for dodecan-1-ol;ethane?
The canonical SMILES for dodecan-1-ol;ethane is CC.CCCCCCCCCCCCO.
What is the InChIKey of dodecan-1-ol;ethane?
The InChIKey is QBNKJTDQNZKZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2/h13H,2-12H2,1H3;1-2H3.
What are the key properties of dodecan-1-ol;ethane?
dodecan-1-ol;ethane has a molecular weight of 216.41 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;ethane is sourced from PubChem (CID 87449114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).