(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol

C10H10O2 — CID 90656893

IUPAC(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol
SMILESC=CC(O)C#CC#C/C=C\CO
InChIInChI=1S/C10H10O2/c1-2-10(12)8-6-4-3-5-7-9-11/h2,5,7,10-12H,1,9H2/b7-5-
InChIKeyBAULTANCNGCCJT-ALCCZGGFSA-N
MW162.19 g/mol
LogP0.09
Rot. Bonds2

About (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol

(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol (PubChem CID 90656893) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol.

Molecular Properties

Compound Name(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol
PubChem CID90656893
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol
SMILESC=CC(O)C#CC#C/C=C\CO
InChIInChI=1S/C10H10O2/c1-2-10(12)8-6-4-3-5-7-9-11/h2,5,7,10-12H,1,9H2/b7-5-
InChIKeyBAULTANCNGCCJT-ALCCZGGFSA-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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Related Compounds

deca-1,9-dien-4,6-diyne-3,8-diol
CID 10583112
(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
CID 87603284
tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol
CID 162872324
(E,3R)-dec-8-en-4,6-diyne-1,3,10-triol
CID 131237107
(3S,8E,11R,12E,14Z)-heptadeca-1,8,12,14-tetraen-4,6-diyne-3,11-diol
CID 162849256
trideca-2,10,12-trien-4,6,8-triyn-1-ol
CID 71357358
3,10-dihydroxydodeca-4,11-dien-6,8-diynoic acid
CID 71346456
(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
heptadeca-1,8,16-trien-4,6-diyne-3,10-diol
CID 2986
(9Z,15S)-15-hydroxyheptadeca-9,16-dien-11,13-diyn-8-one
CID 162924335
(16R)-9,16-dihydroxyoctadeca-10,17-dien-12,14-diynoic acid
CID 90024114
(9Z,11S,16R)-octadeca-9,17-dien-12,14-diyne-1,11,16-triol
CID 102004534

Frequently Asked Questions

What is the IUPAC name of (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol?
The IUPAC name of (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol (CID 90656893) is (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol.
What is the SMILES notation for (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol?
The canonical SMILES for (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol is C=CC(O)C#CC#C/C=C\CO.
What is the InChIKey of (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol?
The InChIKey is BAULTANCNGCCJT-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-10(12)8-6-4-3-5-7-9-11/h2,5,7,10-12H,1,9H2/b7-5-.
What are the key properties of (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol?
(2Z)-deca-2,9-dien-4,6-diyne-1,8-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 (2Z)-deca-2,9-dien-4,6-diyne-1,8-diol is sourced from PubChem (CID 90656893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).