(6R)-6-hydroxydeca-2,8-diyn-4-one

C10H12O2 — CID 131071219

IUPAC(6R)-6-hydroxydeca-2,8-diyn-4-one
SMILESCC#CC[C@@H](O)CC(=O)C#CC
InChIInChI=1S/C10H12O2/c1-3-5-7-10(12)8-9(11)6-4-2/h10,12H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyYRESBLAHRQTJLM-SNVBAGLBSA-N
MW164.20 g/mol
LogP0.74
Rot. Bonds3

About (6R)-6-hydroxydeca-2,8-diyn-4-one

(6R)-6-hydroxydeca-2,8-diyn-4-one (PubChem CID 131071219) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (6R)-6-hydroxydeca-2,8-diyn-4-one.

Molecular Properties

Compound Name(6R)-6-hydroxydeca-2,8-diyn-4-one
PubChem CID131071219
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(6R)-6-hydroxydeca-2,8-diyn-4-one
SMILESCC#CC[C@@H](O)CC(=O)C#CC
InChIInChI=1S/C10H12O2/c1-3-5-7-10(12)8-9(11)6-4-2/h10,12H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyYRESBLAHRQTJLM-SNVBAGLBSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 115601028
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7,8,8-trimethylnon-2-yn-5-ol
CID 115780052
2-methoxyhept-5-yn-3-ol
CID 79617738
1-cyclobutylhex-4-yn-2-ol
CID 103169912
8-methoxynon-2-yn-5-ol
CID 105082402
3-ethyloct-6-yne-2,4-diol
CID 54155261
3-ethylhept-5-yn-2-one
CID 62310973
(3S)-3-prop-1-en-2-ylhept-5-ynoic acid
CID 138976992
2-but-2-ynyl-3-methylhept-5-ynoic acid
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diethyl 2-but-2-ynylpropanedioate
CID 79460235

Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxydeca-2,8-diyn-4-one?
The IUPAC name of (6R)-6-hydroxydeca-2,8-diyn-4-one (CID 131071219) is (6R)-6-hydroxydeca-2,8-diyn-4-one.
What is the SMILES notation for (6R)-6-hydroxydeca-2,8-diyn-4-one?
The canonical SMILES for (6R)-6-hydroxydeca-2,8-diyn-4-one is CC#CC[C@@H](O)CC(=O)C#CC.
What is the InChIKey of (6R)-6-hydroxydeca-2,8-diyn-4-one?
The InChIKey is YRESBLAHRQTJLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-5-7-10(12)8-9(11)6-4-2/h10,12H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (6R)-6-hydroxydeca-2,8-diyn-4-one?
(6R)-6-hydroxydeca-2,8-diyn-4-one has a molecular weight of 164.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxydeca-2,8-diyn-4-one is sourced from PubChem (CID 131071219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).