hexadecane;hexadecan-1-ol

C32H68O — CID 22418546

IUPAChexadecane;hexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCO
InChIInChI=1S/C16H34O.C16H34/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h17H,2-16H2,1H3;3-16H2,1-2H3
InChIKeyOENDOZTUISMGMK-UHFFFAOYSA-N
MW468.90 g/mol
LogP11.95
Rot. Bonds27

About hexadecane;hexadecan-1-ol

hexadecane;hexadecan-1-ol (PubChem CID 22418546) has the molecular formula C32H68O and a molecular weight of 468.90 g/mol. Its IUPAC name is hexadecane;hexadecan-1-ol.

Molecular Properties

Compound Namehexadecane;hexadecan-1-ol
PubChem CID22418546
Molecular FormulaC32H68O
Molecular Weight468.90 g/mol
Exact Mass468.53
IUPAC Namehexadecane;hexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCO
InChIInChI=1S/C16H34O.C16H34/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h17H,2-16H2,1H3;3-16H2,1-2H3
InChIKeyOENDOZTUISMGMK-UHFFFAOYSA-N
XLogP11.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.90
LogP ≤ 511.95
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 hexadecane;hexadecan-1-ol?
The IUPAC name of hexadecane;hexadecan-1-ol (CID 22418546) is hexadecane;hexadecan-1-ol.
What is the SMILES notation for hexadecane;hexadecan-1-ol?
The canonical SMILES for hexadecane;hexadecan-1-ol is CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCO.
What is the InChIKey of hexadecane;hexadecan-1-ol?
The InChIKey is OENDOZTUISMGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C16H34/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h17H,2-16H2,1H3;3-16H2,1-2H3.
What are the key properties of hexadecane;hexadecan-1-ol?
hexadecane;hexadecan-1-ol has a molecular weight of 468.90 g/mol, XLogP of 11.95, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;hexadecan-1-ol is sourced from PubChem (CID 22418546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).