8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate

C16H32O5 — CID 173212527

IUPAC8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate
SMILESCCC(CCCCCO)OC(=O)CCCCCOCOC
InChIInChI=1S/C16H32O5/c1-3-15(10-6-4-8-12-17)21-16(18)11-7-5-9-13-20-14-19-2/h15,17H,3-14H2,1-2H3
InChIKeyYFVJYOWNSBVSHJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.04
Rot. Bonds15

About 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate

8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate (PubChem CID 173212527) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate.

Molecular Properties

Compound Name8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate
PubChem CID173212527
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate
SMILESCCC(CCCCCO)OC(=O)CCCCCOCOC
InChIInChI=1S/C16H32O5/c1-3-15(10-6-4-8-12-17)21-16(18)11-7-5-9-13-20-14-19-2/h15,17H,3-14H2,1-2H3
InChIKeyYFVJYOWNSBVSHJ-UHFFFAOYSA-N
XLogP3.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

octan-3-yl octanoate
CID 22035452
tetradecan-3-yl heptanoate
CID 146681550
octan-3-yl tetracosanoate
CID 87222171
undecan-3-yl nonanoate
CID 140749833
dodecan-3-yl pentadecanoate
CID 54131907
diheptan-3-yl nonanedioate
CID 91752130
7-(methoxymethoxy)heptan-1-ol
CID 102354620
6-hydroxyhexan-3-yl butanoate
CID 118892653
6-O-heptan-3-yl 1-O-pentadecyl hexanedioate
CID 91714184
8-hydroxyoctan-3-yl acetate
CID 101015615
12-heptadecanoyloxytetradecanoic acid
CID 133049066
7-oxo-7-undecan-3-yloxyheptanoic acid
CID 164591298

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate?
The IUPAC name of 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate (CID 173212527) is 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate.
What is the SMILES notation for 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate?
The canonical SMILES for 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate is CCC(CCCCCO)OC(=O)CCCCCOCOC.
What is the InChIKey of 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate?
The InChIKey is YFVJYOWNSBVSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-3-15(10-6-4-8-12-17)21-16(18)11-7-5-9-13-20-14-19-2/h15,17H,3-14H2,1-2H3.
What are the key properties of 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate?
8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate has a molecular weight of 304.43 g/mol, XLogP of 3.04, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate is sourced from PubChem (CID 173212527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).