(Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol

C22H28O4 — CID 171369120

IUPAC(Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol
SMILESC[C@@H](O)C#C/C=C\C#CC(C)(C)O.C[C@H](O)C#C/C=C\C#CC(C)(C)O
InChIInChI=1S/2C11H14O2/c2*1-10(12)8-6-4-5-7-9-11(2,3)13/h2*4-5,10,12-13H,1-3H3/b2*5-4-/t2*10-/m10/s1
InChIKeyQVHSQSYOEKGAIO-TXSKAETBSA-N
MW356.46 g/mol
LogP1.40
Rot. Bonds

About (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol

(Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol (PubChem CID 171369120) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol.

Molecular Properties

Compound Name(Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol
PubChem CID171369120
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name(Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol
SMILESC[C@@H](O)C#C/C=C\C#CC(C)(C)O.C[C@H](O)C#C/C=C\C#CC(C)(C)O
InChIInChI=1S/2C11H14O2/c2*1-10(12)8-6-4-5-7-9-11(2,3)13/h2*4-5,10,12-13H,1-3H3/b2*5-4-/t2*10-/m10/s1
InChIKeyQVHSQSYOEKGAIO-TXSKAETBSA-N
XLogP1.40
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.40
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,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol?
The IUPAC name of (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol (CID 171369120) is (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol.
What is the SMILES notation for (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol?
The canonical SMILES for (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol is C[C@@H](O)C#C/C=C\C#CC(C)(C)O.C[C@H](O)C#C/C=C\C#CC(C)(C)O.
What is the InChIKey of (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol?
The InChIKey is QVHSQSYOEKGAIO-TXSKAETBSA-N. The full InChI is InChI=1S/2C11H14O2/c2*1-10(12)8-6-4-5-7-9-11(2,3)13/h2*4-5,10,12-13H,1-3H3/b2*5-4-/t2*10-/m10/s1.
What are the key properties of (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol?
(Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol has a molecular weight of 356.46 g/mol, XLogP of 1.40, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,9S)-2-methyldec-5-en-3,7-diyne-2,9-diol;(Z,9R)-2-methyldec-5-en-3,7-diyne-2,9-diol is sourced from PubChem (CID 171369120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).