7-heptyltetradecane-6,7,8-triol

C21H44O3 — CID 57173572

IUPAC7-heptyltetradecane-6,7,8-triol
SMILESCCCCCCCC(O)(C(O)CCCCC)C(O)CCCCCC
InChIInChI=1S/C21H44O3/c1-4-7-10-12-15-18-21(24,19(22)16-13-9-6-3)20(23)17-14-11-8-5-2/h19-20,22-24H,4-18H2,1-3H3
InChIKeyAMKPLXYFLUCJEB-UHFFFAOYSA-N
MW344.58 g/mol
LogP5.35
Rot. Bonds17

About 7-heptyltetradecane-6,7,8-triol

7-heptyltetradecane-6,7,8-triol (PubChem CID 57173572) has the molecular formula C21H44O3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 7-heptyltetradecane-6,7,8-triol.

Molecular Properties

Compound Name7-heptyltetradecane-6,7,8-triol
PubChem CID57173572
Molecular FormulaC21H44O3
Molecular Weight344.58 g/mol
Exact Mass344.33
IUPAC Name7-heptyltetradecane-6,7,8-triol
SMILESCCCCCCCC(O)(C(O)CCCCC)C(O)CCCCCC
InChIInChI=1S/C21H44O3/c1-4-7-10-12-15-18-21(24,19(22)16-13-9-6-3)20(23)17-14-11-8-5-2/h19-20,22-24H,4-18H2,1-3H3
InChIKeyAMKPLXYFLUCJEB-UHFFFAOYSA-N
XLogP5.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-heptyltetradecane-6,7,8-triol?
The IUPAC name of 7-heptyltetradecane-6,7,8-triol (CID 57173572) is 7-heptyltetradecane-6,7,8-triol.
What is the SMILES notation for 7-heptyltetradecane-6,7,8-triol?
The canonical SMILES for 7-heptyltetradecane-6,7,8-triol is CCCCCCCC(O)(C(O)CCCCC)C(O)CCCCCC.
What is the InChIKey of 7-heptyltetradecane-6,7,8-triol?
The InChIKey is AMKPLXYFLUCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3/c1-4-7-10-12-15-18-21(24,19(22)16-13-9-6-3)20(23)17-14-11-8-5-2/h19-20,22-24H,4-18H2,1-3H3.
What are the key properties of 7-heptyltetradecane-6,7,8-triol?
7-heptyltetradecane-6,7,8-triol has a molecular weight of 344.58 g/mol, XLogP of 5.35, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptyltetradecane-6,7,8-triol is sourced from PubChem (CID 57173572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).