deca-1,9-dien-4,6-diyne-3,8-diol

C10H10O2 — CID 10583112

IUPACdeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=CC(O)C#CC#CC(O)C=C
InChIInChI=1S/C10H10O2/c1-3-9(11)7-5-6-8-10(12)4-2/h3-4,9-12H,1-2H2
InChIKeySONJJNXBDNWCRX-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.09
Rot. Bonds2

About deca-1,9-dien-4,6-diyne-3,8-diol

deca-1,9-dien-4,6-diyne-3,8-diol (PubChem CID 10583112) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is deca-1,9-dien-4,6-diyne-3,8-diol.

Molecular Properties

Compound Namedeca-1,9-dien-4,6-diyne-3,8-diol
PubChem CID10583112
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namedeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=CC(O)C#CC#CC(O)C=C
InChIInChI=1S/C10H10O2/c1-3-9(11)7-5-6-8-10(12)4-2/h3-4,9-12H,1-2H2
InChIKeySONJJNXBDNWCRX-UHFFFAOYSA-N
XLogP0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deca-1,9-dien-4,6-diyne-3,8-diol?
The IUPAC name of deca-1,9-dien-4,6-diyne-3,8-diol (CID 10583112) is deca-1,9-dien-4,6-diyne-3,8-diol.
What is the SMILES notation for deca-1,9-dien-4,6-diyne-3,8-diol?
The canonical SMILES for deca-1,9-dien-4,6-diyne-3,8-diol is C=CC(O)C#CC#CC(O)C=C.
What is the InChIKey of deca-1,9-dien-4,6-diyne-3,8-diol?
The InChIKey is SONJJNXBDNWCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-9(11)7-5-6-8-10(12)4-2/h3-4,9-12H,1-2H2.
What are the key properties of deca-1,9-dien-4,6-diyne-3,8-diol?
deca-1,9-dien-4,6-diyne-3,8-diol has a molecular weight of 162.19 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-dien-4,6-diyne-3,8-diol is sourced from PubChem (CID 10583112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).