ethanol;heptadecan-1-ol

C19H42O2 — CID 160681961

IUPACethanol;heptadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCO.CCO
InChIInChI=1S/C17H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-2-3/h18H,2-17H2,1H3;3H,2H2,1H3
InChIKeyROGMPKHQQCFHNB-UHFFFAOYSA-N
MW302.54 g/mol
LogP5.85
Rot. Bonds15

About ethanol;heptadecan-1-ol

ethanol;heptadecan-1-ol (PubChem CID 160681961) has the molecular formula C19H42O2 and a molecular weight of 302.54 g/mol. Its IUPAC name is ethanol;heptadecan-1-ol.

Molecular Properties

Compound Nameethanol;heptadecan-1-ol
PubChem CID160681961
Molecular FormulaC19H42O2
Molecular Weight302.54 g/mol
Exact Mass302.32
IUPAC Nameethanol;heptadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCO.CCO
InChIInChI=1S/C17H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-2-3/h18H,2-17H2,1H3;3H,2H2,1H3
InChIKeyROGMPKHQQCFHNB-UHFFFAOYSA-N
XLogP5.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.54
LogP ≤ 55.85
H-Bond Donors ≤ 52
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 ethanol;heptadecan-1-ol?
The IUPAC name of ethanol;heptadecan-1-ol (CID 160681961) is ethanol;heptadecan-1-ol.
What is the SMILES notation for ethanol;heptadecan-1-ol?
The canonical SMILES for ethanol;heptadecan-1-ol is CCCCCCCCCCCCCCCCCO.CCO.
What is the InChIKey of ethanol;heptadecan-1-ol?
The InChIKey is ROGMPKHQQCFHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-2-3/h18H,2-17H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;heptadecan-1-ol?
ethanol;heptadecan-1-ol has a molecular weight of 302.54 g/mol, XLogP of 5.85, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;heptadecan-1-ol is sourced from PubChem (CID 160681961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).