7,8-dihydroxyoct-1-en-3-yl acetate

C10H18O4 — CID 14142035

IUPAC7,8-dihydroxyoct-1-en-3-yl acetate
SMILESC=CC(CCCC(O)CO)OC(C)=O
InChIInChI=1S/C10H18O4/c1-3-10(14-8(2)12)6-4-5-9(13)7-11/h3,9-11,13H,1,4-7H2,2H3
InChIKeyYQWAKKSLBRNMLR-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.63
Rot. Bonds7

About 7,8-dihydroxyoct-1-en-3-yl acetate

7,8-dihydroxyoct-1-en-3-yl acetate (PubChem CID 14142035) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 7,8-dihydroxyoct-1-en-3-yl acetate.

Molecular Properties

Compound Name7,8-dihydroxyoct-1-en-3-yl acetate
PubChem CID14142035
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name7,8-dihydroxyoct-1-en-3-yl acetate
SMILESC=CC(CCCC(O)CO)OC(C)=O
InChIInChI=1S/C10H18O4/c1-3-10(14-8(2)12)6-4-5-9(13)7-11/h3,9-11,13H,1,4-7H2,2H3
InChIKeyYQWAKKSLBRNMLR-UHFFFAOYSA-N
XLogP0.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,8-dihydroxyoct-1-en-3-yl acetate 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

[(1R)-1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]pent-4-enyl] acetate
CID 11961399
6,7-Dihydroxyhept-1-en-3-yl acetate
CID 14142027
5-Acetyloxyhept-6-enyl acetate
CID 16215000
[(2S,6R)-6-hydroxyoct-7-en-2-yl] acetate
CID 45258738
8-Hydroxynon-1-en-4-yl prop-2-enoate
CID 76511519
[(2R,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-hydroxyoct-7-enyl] acetate
CID 154708330
7-Acetyloxynona-1,8-dien-3-yl acetate
CID 236031
9-Hydroxynona-1,2-dien-4-yl acetate
CID 71530774
2,4,7-Trihydroxyheptan-3-yl prop-2-enoate
CID 87267324
7-Hydroxyoct-1-en-3-yl 2-methylprop-2-enoate
CID 87881722
[5-Hydroxy-4-(2-hydroxyethoxy)heptyl] prop-2-enoate
CID 89119108
(4,7-Dihydroxy-3-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 117666897

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxyoct-1-en-3-yl acetate?
The IUPAC name of 7,8-dihydroxyoct-1-en-3-yl acetate (CID 14142035) is 7,8-dihydroxyoct-1-en-3-yl acetate.
What is the SMILES notation for 7,8-dihydroxyoct-1-en-3-yl acetate?
The canonical SMILES for 7,8-dihydroxyoct-1-en-3-yl acetate is C=CC(CCCC(O)CO)OC(C)=O.
What is the InChIKey of 7,8-dihydroxyoct-1-en-3-yl acetate?
The InChIKey is YQWAKKSLBRNMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(14-8(2)12)6-4-5-9(13)7-11/h3,9-11,13H,1,4-7H2,2H3.
What are the key properties of 7,8-dihydroxyoct-1-en-3-yl acetate?
7,8-dihydroxyoct-1-en-3-yl acetate has a molecular weight of 202.25 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxyoct-1-en-3-yl acetate is sourced from PubChem (CID 14142035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).