ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol

C10H18O2 — CID 145139860

IUPACethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
SMILESC=C/C=C(\C=C)C(O)CO.CC
InChIInChI=1S/C8H12O2.C2H6/c1-3-5-7(4-2)8(10)6-9;1-2/h3-5,8-10H,1-2,6H2;1-2H3/b7-5+;
InChIKeyXWIZTQJAPGNGHJ-GZOLSCHFSA-N
MW170.25 g/mol
LogP1.66
Rot. Bonds4

About ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol

ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol (PubChem CID 145139860) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Nameethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
PubChem CID145139860
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
SMILESC=C/C=C(\C=C)C(O)CO.CC
InChIInChI=1S/C8H12O2.C2H6/c1-3-5-7(4-2)8(10)6-9;1-2/h3-5,8-10H,1-2,6H2;1-2H3/b7-5+;
InChIKeyXWIZTQJAPGNGHJ-GZOLSCHFSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.66
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 ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol?
The IUPAC name of ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol (CID 145139860) is ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol.
What is the SMILES notation for ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol?
The canonical SMILES for ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol is C=C/C=C(\C=C)C(O)CO.CC.
What is the InChIKey of ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol?
The InChIKey is XWIZTQJAPGNGHJ-GZOLSCHFSA-N. The full InChI is InChI=1S/C8H12O2.C2H6/c1-3-5-7(4-2)8(10)6-9;1-2/h3-5,8-10H,1-2,6H2;1-2H3/b7-5+;.
What are the key properties of ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol?
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol is sourced from PubChem (CID 145139860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).