6-hydroxyhexyl acetate

C8H16O3 — CID 11286615

IUPAC6-hydroxyhexyl acetate
SMILESCC(=O)OCCCCCCO
InChIInChI=1S/C8H16O3/c1-8(10)11-7-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyDGUKYCANAXQEMH-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.10
Rot. Bonds6

About 6-hydroxyhexyl acetate

6-hydroxyhexyl acetate (PubChem CID 11286615) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6-hydroxyhexyl acetate.

Molecular Properties

Compound Name6-hydroxyhexyl acetate
PubChem CID11286615
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6-hydroxyhexyl acetate
SMILESCC(=O)OCCCCCCO
InChIInChI=1S/C8H16O3/c1-8(10)11-7-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyDGUKYCANAXQEMH-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.10
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

Hexyl Acetate
CID 8908
Hexyl propionate
CID 88454
1,6-Hexanediol, 1,6-diacetate
CID 80356
Ethyl 6-hydroxyhexanoate
CID 357781
Acetic acid, 3-hydroxyheptyl ester
CID 38364
6-Ethoxyhexanoic acid
CID 23190866
Butyl 6-hydroxyhexanoate
CID 22352249
8-Hydroxyoctyl acetate
CID 251147
11-Acetoxyundecanol
CID 10059750
Acetic acid--octan-1-ol (1/1)
CID 71442932
4-Hydroxybutyl hexanoate
CID 53744805
1,10-Decanediol monoacetate
CID 11009365

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl acetate?
The IUPAC name of 6-hydroxyhexyl acetate (CID 11286615) is 6-hydroxyhexyl acetate.
What is the SMILES notation for 6-hydroxyhexyl acetate?
The canonical SMILES for 6-hydroxyhexyl acetate is CC(=O)OCCCCCCO.
What is the InChIKey of 6-hydroxyhexyl acetate?
The InChIKey is DGUKYCANAXQEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(10)11-7-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 6-hydroxyhexyl acetate?
6-hydroxyhexyl acetate has a molecular weight of 160.21 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 6-hydroxyhexyl acetate is sourced from PubChem (CID 11286615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).