5-pentylundec-1-ene-4,5,6-triol

C16H32O3 — CID 87840656

IUPAC5-pentylundec-1-ene-4,5,6-triol
SMILESC=CCC(O)C(O)(CCCCC)C(O)CCCCC
InChIInChI=1S/C16H32O3/c1-4-7-9-12-15(18)16(19,13-10-8-5-2)14(17)11-6-3/h6,14-15,17-19H,3-5,7-13H2,1-2H3
InChIKeyMNZKKWIAZATGNB-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.18
Rot. Bonds12

About 5-pentylundec-1-ene-4,5,6-triol

5-pentylundec-1-ene-4,5,6-triol (PubChem CID 87840656) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-pentylundec-1-ene-4,5,6-triol.

Molecular Properties

Compound Name5-pentylundec-1-ene-4,5,6-triol
PubChem CID87840656
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name5-pentylundec-1-ene-4,5,6-triol
SMILESC=CCC(O)C(O)(CCCCC)C(O)CCCCC
InChIInChI=1S/C16H32O3/c1-4-7-9-12-15(18)16(19,13-10-8-5-2)14(17)11-6-3/h6,14-15,17-19H,3-5,7-13H2,1-2H3
InChIKeyMNZKKWIAZATGNB-UHFFFAOYSA-N
XLogP3.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3,4,5-trihydroxy-4-pentyldecan-2-one
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2-hex-5-enylnonadecane-1,2,3-triol
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3-prop-2-enyloctan-2-ol
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nonacos-1-ene-4,6,8,10,12,14,16,18,20,22,24-undecol
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2-octadecylhenicosane-1,2,3-triol
CID 19002635
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Frequently Asked Questions

What is the IUPAC name of 5-pentylundec-1-ene-4,5,6-triol?
The IUPAC name of 5-pentylundec-1-ene-4,5,6-triol (CID 87840656) is 5-pentylundec-1-ene-4,5,6-triol.
What is the SMILES notation for 5-pentylundec-1-ene-4,5,6-triol?
The canonical SMILES for 5-pentylundec-1-ene-4,5,6-triol is C=CCC(O)C(O)(CCCCC)C(O)CCCCC.
What is the InChIKey of 5-pentylundec-1-ene-4,5,6-triol?
The InChIKey is MNZKKWIAZATGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-7-9-12-15(18)16(19,13-10-8-5-2)14(17)11-6-3/h6,14-15,17-19H,3-5,7-13H2,1-2H3.
What are the key properties of 5-pentylundec-1-ene-4,5,6-triol?
5-pentylundec-1-ene-4,5,6-triol has a molecular weight of 272.43 g/mol, XLogP of 3.18, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentylundec-1-ene-4,5,6-triol is sourced from PubChem (CID 87840656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).