2-hydroxyhexanoic acid;methyl formate

C8H16O5 — CID 158382465

IUPAC2-hydroxyhexanoic acid;methyl formate
SMILESCCCCC(O)C(=O)O.COC=O
InChIInChI=1S/C6H12O3.C2H4O2/c1-2-3-4-5(7)6(8)9;1-4-2-3/h5,7H,2-4H2,1H3,(H,8,9);2H,1H3
InChIKeyGVYSXZLBDKDYFJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.41
Rot. Bonds5

About 2-hydroxyhexanoic acid;methyl formate

2-hydroxyhexanoic acid;methyl formate (PubChem CID 158382465) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-hydroxyhexanoic acid;methyl formate.

Molecular Properties

Compound Name2-hydroxyhexanoic acid;methyl formate
PubChem CID158382465
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2-hydroxyhexanoic acid;methyl formate
SMILESCCCCC(O)C(=O)O.COC=O
InChIInChI=1S/C6H12O3.C2H4O2/c1-2-3-4-5(7)6(8)9;1-4-2-3/h5,7H,2-4H2,1H3,(H,8,9);2H,1H3
InChIKeyGVYSXZLBDKDYFJ-UHFFFAOYSA-N
XLogP0.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxyhexanoic acid
CID 6995511
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
2-hydroxyheptanoic acid
CID 2750949
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxydecanoic acid
CID 161255514
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyhexanoic acid;methyl formate?
The IUPAC name of 2-hydroxyhexanoic acid;methyl formate (CID 158382465) is 2-hydroxyhexanoic acid;methyl formate.
What is the SMILES notation for 2-hydroxyhexanoic acid;methyl formate?
The canonical SMILES for 2-hydroxyhexanoic acid;methyl formate is CCCCC(O)C(=O)O.COC=O.
What is the InChIKey of 2-hydroxyhexanoic acid;methyl formate?
The InChIKey is GVYSXZLBDKDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C2H4O2/c1-2-3-4-5(7)6(8)9;1-4-2-3/h5,7H,2-4H2,1H3,(H,8,9);2H,1H3.
What are the key properties of 2-hydroxyhexanoic acid;methyl formate?
2-hydroxyhexanoic acid;methyl formate has a molecular weight of 192.21 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyhexanoic acid;methyl formate is sourced from PubChem (CID 158382465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).