hexadecan-1-ol;pentane

C21H46O — CID 175595419

IUPAChexadecan-1-ol;pentane
SMILESCCCCC.CCCCCCCCCCCCCCCCO
InChIInChI=1S/C16H34O.C5H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-5-4-2/h17H,2-16H2,1H3;3-5H2,1-2H3
InChIKeyIDCDWJPMGDZPBG-UHFFFAOYSA-N
MW314.60 g/mol
LogP7.66
Rot. Bonds16

About hexadecan-1-ol;pentane

hexadecan-1-ol;pentane (PubChem CID 175595419) has the molecular formula C21H46O and a molecular weight of 314.60 g/mol. Its IUPAC name is hexadecan-1-ol;pentane.

Molecular Properties

Compound Namehexadecan-1-ol;pentane
PubChem CID175595419
Molecular FormulaC21H46O
Molecular Weight314.60 g/mol
Exact Mass314.35
IUPAC Namehexadecan-1-ol;pentane
SMILESCCCCC.CCCCCCCCCCCCCCCCO
InChIInChI=1S/C16H34O.C5H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-5-4-2/h17H,2-16H2,1H3;3-5H2,1-2H3
InChIKeyIDCDWJPMGDZPBG-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'}

Analyze hexadecan-1-ol;pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 hexadecan-1-ol;pentane?
The IUPAC name of hexadecan-1-ol;pentane (CID 175595419) is hexadecan-1-ol;pentane.
What is the SMILES notation for hexadecan-1-ol;pentane?
The canonical SMILES for hexadecan-1-ol;pentane is CCCCC.CCCCCCCCCCCCCCCCO.
What is the InChIKey of hexadecan-1-ol;pentane?
The InChIKey is IDCDWJPMGDZPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C5H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-5-4-2/h17H,2-16H2,1H3;3-5H2,1-2H3.
What are the key properties of hexadecan-1-ol;pentane?
hexadecan-1-ol;pentane 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 hexadecan-1-ol;pentane is sourced from PubChem (CID 175595419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).