octadecan-1-ol;propane

C21H46O — CID 174371095

IUPACoctadecan-1-ol;propane
SMILESCCC.CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O.C3H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-2/h19H,2-18H2,1H3;3H2,1-2H3
InChIKeyAHNCBJYHIIPOFX-UHFFFAOYSA-N
MW314.60 g/mol
LogP7.66
Rot. Bonds16

About octadecan-1-ol;propane

octadecan-1-ol;propane (PubChem CID 174371095) has the molecular formula C21H46O and a molecular weight of 314.60 g/mol. Its IUPAC name is octadecan-1-ol;propane.

Molecular Properties

Compound Nameoctadecan-1-ol;propane
PubChem CID174371095
Molecular FormulaC21H46O
Molecular Weight314.60 g/mol
Exact Mass314.35
IUPAC Nameoctadecan-1-ol;propane
SMILESCCC.CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O.C3H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-2/h19H,2-18H2,1H3;3H2,1-2H3
InChIKeyAHNCBJYHIIPOFX-UHFFFAOYSA-N
XLogP7.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 57.66
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 octadecan-1-ol;propane?
The IUPAC name of octadecan-1-ol;propane (CID 174371095) is octadecan-1-ol;propane.
What is the SMILES notation for octadecan-1-ol;propane?
The canonical SMILES for octadecan-1-ol;propane is CCC.CCCCCCCCCCCCCCCCCCO.
What is the InChIKey of octadecan-1-ol;propane?
The InChIKey is AHNCBJYHIIPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O.C3H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-2/h19H,2-18H2,1H3;3H2,1-2H3.
What are the key properties of octadecan-1-ol;propane?
octadecan-1-ol;propane has a molecular weight of 314.60 g/mol, XLogP of 7.66, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-ol;propane is sourced from PubChem (CID 174371095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).