8-hydroxyoctan-3-yl acetate

C10H20O3 — CID 101015615

IUPAC8-hydroxyoctan-3-yl acetate
SMILESCCC(CCCCCO)OC(C)=O
InChIInChI=1S/C10H20O3/c1-3-10(13-9(2)12)7-5-4-6-8-11/h10-11H,3-8H2,1-2H3
InChIKeyCCPVZLUKTQAQOG-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.88
Rot. Bonds7

About 8-hydroxyoctan-3-yl acetate

8-hydroxyoctan-3-yl acetate (PubChem CID 101015615) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 8-hydroxyoctan-3-yl acetate.

Molecular Properties

Compound Name8-hydroxyoctan-3-yl acetate
PubChem CID101015615
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name8-hydroxyoctan-3-yl acetate
SMILESCCC(CCCCCO)OC(C)=O
InChIInChI=1S/C10H20O3/c1-3-10(13-9(2)12)7-5-4-6-8-11/h10-11H,3-8H2,1-2H3
InChIKeyCCPVZLUKTQAQOG-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

16-hydroxyhexadecan-8-yl acetate
CID 175427631
[(3S)-nonan-3-yl] acetate
CID 76967958
(2-acetyloxy-6-hydroxyhexyl) acetate
CID 12014749
methyl 14-acetyloxyhexadecanoate
CID 71410392
3-acetyloxy-9,10,16-trihydroxyhexadecanoic acid
CID 163015444
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
7-methoxynonan-1-ol
CID 91306225
18-hydroxyoctadec-9-en-7-yl acetate
CID 154089470
[(Z)-18-hydroxyoctadec-9-en-7-yl] acetate
CID 102090399
16-oxoheptadec-11-en-3-yl acetate
CID 76539176
14-oxopentadec-9-en-3-yl acetate
CID 76539150
6-hydroxyhexan-2-yl acetate
CID 15812148

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyoctan-3-yl acetate?
The IUPAC name of 8-hydroxyoctan-3-yl acetate (CID 101015615) is 8-hydroxyoctan-3-yl acetate.
What is the SMILES notation for 8-hydroxyoctan-3-yl acetate?
The canonical SMILES for 8-hydroxyoctan-3-yl acetate is CCC(CCCCCO)OC(C)=O.
What is the InChIKey of 8-hydroxyoctan-3-yl acetate?
The InChIKey is CCPVZLUKTQAQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-10(13-9(2)12)7-5-4-6-8-11/h10-11H,3-8H2,1-2H3.
What are the key properties of 8-hydroxyoctan-3-yl acetate?
8-hydroxyoctan-3-yl acetate has a molecular weight of 188.27 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyoctan-3-yl acetate is sourced from PubChem (CID 101015615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).