(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol

C20H24O4 — CID 171369123

IUPAC(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol
SMILESC[C@@H](O)C#C/C=C\C#CCCO.C[C@H](O)C#C/C=C\C#CCCO
InChIInChI=1S/2C10H12O2/c2*1-10(12)8-6-4-2-3-5-7-9-11/h2*2,4,10-12H,7,9H2,1H3/b2*4-2-/t2*10-/m10/s1
InChIKeyBWELOHWMLNYHGW-IEOZHJKESA-N
MW328.41 g/mol
LogP0.63
Rot. Bonds2

About (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol

(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol (PubChem CID 171369123) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol.

Molecular Properties

Compound Name(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol
PubChem CID171369123
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol
SMILESC[C@@H](O)C#C/C=C\C#CCCO.C[C@H](O)C#C/C=C\C#CCCO
InChIInChI=1S/2C10H12O2/c2*1-10(12)8-6-4-2-3-5-7-9-11/h2*2,4,10-12H,7,9H2,1H3/b2*4-2-/t2*10-/m10/s1
InChIKeyBWELOHWMLNYHGW-IEOZHJKESA-N
XLogP0.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol?
The IUPAC name of (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol (CID 171369123) is (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol.
What is the SMILES notation for (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol?
The canonical SMILES for (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol is C[C@@H](O)C#C/C=C\C#CCCO.C[C@H](O)C#C/C=C\C#CCCO.
What is the InChIKey of (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol?
The InChIKey is BWELOHWMLNYHGW-IEOZHJKESA-N. The full InChI is InChI=1S/2C10H12O2/c2*1-10(12)8-6-4-2-3-5-7-9-11/h2*2,4,10-12H,7,9H2,1H3/b2*4-2-/t2*10-/m10/s1.
What are the key properties of (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol?
(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol has a molecular weight of 328.41 g/mol, XLogP of 0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol is sourced from PubChem (CID 171369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).