oct-7-en-2-yl 2-hydroxyacetate

C10H18O3 — CID 87314552

IUPACoct-7-en-2-yl 2-hydroxyacetate
SMILESC=CCCCCC(C)OC(=O)CO
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-9(2)13-10(12)8-11/h3,9,11H,1,4-8H2,2H3
InChIKeyXDSUGQKCWTXYLS-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds7

About oct-7-en-2-yl 2-hydroxyacetate

oct-7-en-2-yl 2-hydroxyacetate (PubChem CID 87314552) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is oct-7-en-2-yl 2-hydroxyacetate.

Molecular Properties

Compound Nameoct-7-en-2-yl 2-hydroxyacetate
PubChem CID87314552
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameoct-7-en-2-yl 2-hydroxyacetate
SMILESC=CCCCCC(C)OC(=O)CO
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-9(2)13-10(12)8-11/h3,9,11H,1,4-8H2,2H3
InChIKeyXDSUGQKCWTXYLS-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oct-7-en-2-yl 2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-3-undec-10-en-2-yloxypropanoic acid
CID 54309534
hex-5-en-2-yl 2-iodoacetate
CID 11065424
hex-5-en-2-yl 2-(trideuteriomethylamino)acetate
CID 155760043
hept-6-en-2-yl phenyl carbonate
CID 139630372
nonacosa-1,28-dien-15-yl acetate
CID 101064980
methyl 3-methyltetradec-13-enoate
CID 22752955
methyl (3R)-3-methyltridec-12-enoate
CID 52912715
(2R)-2-methylnon-8-enoic acid
CID 129385535
bis(6-hydroxyhexan-2-yl) hexanedioate
CID 57127239
methyl (2R)-2-methylnon-8-enoate
CID 58289580
[(2S)-hept-6-en-2-yl] 2-diphenoxyphosphorylacetate
CID 102260491
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732

Frequently Asked Questions

What is the IUPAC name of oct-7-en-2-yl 2-hydroxyacetate?
The IUPAC name of oct-7-en-2-yl 2-hydroxyacetate (CID 87314552) is oct-7-en-2-yl 2-hydroxyacetate.
What is the SMILES notation for oct-7-en-2-yl 2-hydroxyacetate?
The canonical SMILES for oct-7-en-2-yl 2-hydroxyacetate is C=CCCCCC(C)OC(=O)CO.
What is the InChIKey of oct-7-en-2-yl 2-hydroxyacetate?
The InChIKey is XDSUGQKCWTXYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-7-9(2)13-10(12)8-11/h3,9,11H,1,4-8H2,2H3.
What are the key properties of oct-7-en-2-yl 2-hydroxyacetate?
oct-7-en-2-yl 2-hydroxyacetate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-en-2-yl 2-hydroxyacetate is sourced from PubChem (CID 87314552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).