hexadeca-2,4,6,8,10-pentaene-1,13-diol

C16H24O2 — CID 71373655

IUPAChexadeca-2,4,6,8,10-pentaene-1,13-diol
SMILESCCCC(O)CC=CC=CC=CC=CC=CCO
InChIInChI=1S/C16H24O2/c1-2-13-16(18)14-11-9-7-5-3-4-6-8-10-12-15-17/h3-12,16-18H,2,13-15H2,1H3
InChIKeyIKXVFBGDFMVZDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.31
Rot. Bonds9

About hexadeca-2,4,6,8,10-pentaene-1,13-diol

hexadeca-2,4,6,8,10-pentaene-1,13-diol (PubChem CID 71373655) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is hexadeca-2,4,6,8,10-pentaene-1,13-diol.

Molecular Properties

Compound Namehexadeca-2,4,6,8,10-pentaene-1,13-diol
PubChem CID71373655
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Namehexadeca-2,4,6,8,10-pentaene-1,13-diol
SMILESCCCC(O)CC=CC=CC=CC=CC=CCO
InChIInChI=1S/C16H24O2/c1-2-13-16(18)14-11-9-7-5-3-4-6-8-10-12-15-17/h3-12,16-18H,2,13-15H2,1H3
InChIKeyIKXVFBGDFMVZDZ-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexadeca-2,4,6,8,10-pentaene-1,13-diol?
The IUPAC name of hexadeca-2,4,6,8,10-pentaene-1,13-diol (CID 71373655) is hexadeca-2,4,6,8,10-pentaene-1,13-diol.
What is the SMILES notation for hexadeca-2,4,6,8,10-pentaene-1,13-diol?
The canonical SMILES for hexadeca-2,4,6,8,10-pentaene-1,13-diol is CCCC(O)CC=CC=CC=CC=CC=CCO.
What is the InChIKey of hexadeca-2,4,6,8,10-pentaene-1,13-diol?
The InChIKey is IKXVFBGDFMVZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-13-16(18)14-11-9-7-5-3-4-6-8-10-12-15-17/h3-12,16-18H,2,13-15H2,1H3.
What are the key properties of hexadeca-2,4,6,8,10-pentaene-1,13-diol?
hexadeca-2,4,6,8,10-pentaene-1,13-diol has a molecular weight of 248.37 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-2,4,6,8,10-pentaene-1,13-diol is sourced from PubChem (CID 71373655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).