ethyl (5R)-5-hydroxyoct-7-ynoate

C10H16O3 — CID 101251677

IUPACethyl (5R)-5-hydroxyoct-7-ynoate
SMILESC#CC[C@H](O)CCCC(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h1,9,11H,4-8H2,2H3/t9-/m0/s1
InChIKeyVJOYPGVXEVJYDU-VIFPVBQESA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds6

About ethyl (5R)-5-hydroxyoct-7-ynoate

ethyl (5R)-5-hydroxyoct-7-ynoate (PubChem CID 101251677) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (5R)-5-hydroxyoct-7-ynoate.

Molecular Properties

Compound Nameethyl (5R)-5-hydroxyoct-7-ynoate
PubChem CID101251677
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (5R)-5-hydroxyoct-7-ynoate
SMILESC#CC[C@H](O)CCCC(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h1,9,11H,4-8H2,2H3/t9-/m0/s1
InChIKeyVJOYPGVXEVJYDU-VIFPVBQESA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl (5R)-5-hydroxyoct-7-ynoate?
The IUPAC name of ethyl (5R)-5-hydroxyoct-7-ynoate (CID 101251677) is ethyl (5R)-5-hydroxyoct-7-ynoate.
What is the SMILES notation for ethyl (5R)-5-hydroxyoct-7-ynoate?
The canonical SMILES for ethyl (5R)-5-hydroxyoct-7-ynoate is C#CC[C@H](O)CCCC(=O)OCC.
What is the InChIKey of ethyl (5R)-5-hydroxyoct-7-ynoate?
The InChIKey is VJOYPGVXEVJYDU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h1,9,11H,4-8H2,2H3/t9-/m0/s1.
What are the key properties of ethyl (5R)-5-hydroxyoct-7-ynoate?
ethyl (5R)-5-hydroxyoct-7-ynoate has a molecular weight of 184.23 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-hydroxyoct-7-ynoate is sourced from PubChem (CID 101251677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).