(-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one

C10H18O3 — CID 10987002

IUPAC(E,3R)-1,3-dihydroxydec-8-en-5-one
SMILESC/C=C/CCC(=O)C[C@@H](CCO)O
InChIInChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3/b3-2+/t10-/m1/s1
InChIKeySHHVNLZCXWAKNG-VMZHVLLKSA-N
MW186.25 g/mol
LogP0.20
Rot. Bonds7

About (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one

(-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one (PubChem CID 10987002) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E,3R)-1,3-dihydroxydec-8-en-5-one.

Molecular Properties

Compound Name(-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one
PubChem CID10987002
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E,3R)-1,3-dihydroxydec-8-en-5-one
SMILESC/C=C/CCC(=O)C[C@@H](CCO)O
InChIInChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3/b3-2+/t10-/m1/s1
InChIKeySHHVNLZCXWAKNG-VMZHVLLKSA-N
XLogP0.20
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one?
The IUPAC name of (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one (CID 10987002) is (E,3R)-1,3-dihydroxydec-8-en-5-one.
What is the SMILES notation for (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one?
The canonical SMILES for (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one is C/C=C/CCC(=O)C[C@@H](CCO)O.
What is the InChIKey of (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one?
The InChIKey is SHHVNLZCXWAKNG-VMZHVLLKSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3/b3-2+/t10-/m1/s1.
What are the key properties of (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one?
(-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one has a molecular weight of 186.25 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one is sourced from PubChem (CID 10987002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).