6-hydroxyhexan-3-yl butanoate

C10H20O3 — CID 118892653

IUPAC6-hydroxyhexan-3-yl butanoate
SMILESCCCC(=O)OC(CC)CCCO
InChIInChI=1S/C10H20O3/c1-3-6-10(12)13-9(4-2)7-5-8-11/h9,11H,3-8H2,1-2H3
InChIKeyBJZHNRANHNVBRU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.88
Rot. Bonds7

About 6-hydroxyhexan-3-yl butanoate

6-hydroxyhexan-3-yl butanoate (PubChem CID 118892653) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-hydroxyhexan-3-yl butanoate.

Molecular Properties

Compound Name6-hydroxyhexan-3-yl butanoate
PubChem CID118892653
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name6-hydroxyhexan-3-yl butanoate
SMILESCCCC(=O)OC(CC)CCCO
InChIInChI=1S/C10H20O3/c1-3-6-10(12)13-9(4-2)7-5-8-11/h9,11H,3-8H2,1-2H3
InChIKeyBJZHNRANHNVBRU-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

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Related Compounds

tetradecan-3-yl butanoate
CID 551228
dioctan-3-yl butanedioate
CID 22101652
diheptan-3-yl nonanedioate
CID 91752130
octan-3-yl octanoate
CID 22035452
octan-3-yl tetracosanoate
CID 87222171
tetradecan-3-yl heptanoate
CID 146681550
undecan-3-yl nonanoate
CID 140749833
dodecan-3-yl pentadecanoate
CID 54131907
pentadecan-8-yl butanoate
CID 164875629
1-(dimethylamino)pentan-3-yl butanoate
CID 177025581
heptadecan-9-yl 3-hydroxypropanoate
CID 172555387
[(2S)-2-butanoyloxybutyl] butanoate
CID 129404084

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexan-3-yl butanoate?
The IUPAC name of 6-hydroxyhexan-3-yl butanoate (CID 118892653) is 6-hydroxyhexan-3-yl butanoate.
What is the SMILES notation for 6-hydroxyhexan-3-yl butanoate?
The canonical SMILES for 6-hydroxyhexan-3-yl butanoate is CCCC(=O)OC(CC)CCCO.
What is the InChIKey of 6-hydroxyhexan-3-yl butanoate?
The InChIKey is BJZHNRANHNVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-6-10(12)13-9(4-2)7-5-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-hydroxyhexan-3-yl butanoate?
6-hydroxyhexan-3-yl butanoate 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 6-hydroxyhexan-3-yl butanoate is sourced from PubChem (CID 118892653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).