heptadecan-1-ol

C17H36O — CID 15076

IUPACheptadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3
InChIKeyGOQYKNQRPGWPLP-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.85
Rot. Bonds15

About heptadecan-1-ol

heptadecan-1-ol (PubChem CID 15076) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is heptadecan-1-ol.

Molecular Properties

Compound Nameheptadecan-1-ol
PubChem CID15076
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Nameheptadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3
InChIKeyGOQYKNQRPGWPLP-UHFFFAOYSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.85
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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Frequently Asked Questions

What is the IUPAC name of heptadecan-1-ol?
The IUPAC name of heptadecan-1-ol (CID 15076) is heptadecan-1-ol.
What is the SMILES notation for heptadecan-1-ol?
The canonical SMILES for heptadecan-1-ol is CCCCCCCCCCCCCCCCCO.
What is the InChIKey of heptadecan-1-ol?
The InChIKey is GOQYKNQRPGWPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3.
What are the key properties of heptadecan-1-ol?
heptadecan-1-ol has a molecular weight of 256.47 g/mol, XLogP of 5.85, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-1-ol is sourced from PubChem (CID 15076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).