ethane;2-hydroxyhexanoic acid

C8H18O3 — CID 20976061

IUPACethane;2-hydroxyhexanoic acid
SMILESCC.CCCCC(O)C(=O)O
InChIInChI=1S/C6H12O3.C2H6/c1-2-3-4-5(7)6(8)9;1-2/h5,7H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyQBJNZAWLLGHSKC-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.65
Rot. Bonds4

About ethane;2-hydroxyhexanoic acid

ethane;2-hydroxyhexanoic acid (PubChem CID 20976061) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is ethane;2-hydroxyhexanoic acid.

Molecular Properties

Compound Nameethane;2-hydroxyhexanoic acid
PubChem CID20976061
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Nameethane;2-hydroxyhexanoic acid
SMILESCC.CCCCC(O)C(=O)O
InChIInChI=1S/C6H12O3.C2H6/c1-2-3-4-5(7)6(8)9;1-2/h5,7H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyQBJNZAWLLGHSKC-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxyhexanoic acid
CID 6995511
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
2-hydroxyheptanoic acid
CID 2750949
2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
2-hydroxyhexanoic acid;methyl formate
CID 158382465
2,2-dihydroxyhexanoic acid;2-hydroxyhexanoic acid
CID 161085077
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxyhexanoic acid?
The IUPAC name of ethane;2-hydroxyhexanoic acid (CID 20976061) is ethane;2-hydroxyhexanoic acid.
What is the SMILES notation for ethane;2-hydroxyhexanoic acid?
The canonical SMILES for ethane;2-hydroxyhexanoic acid is CC.CCCCC(O)C(=O)O.
What is the InChIKey of ethane;2-hydroxyhexanoic acid?
The InChIKey is QBJNZAWLLGHSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C2H6/c1-2-3-4-5(7)6(8)9;1-2/h5,7H,2-4H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;2-hydroxyhexanoic acid?
ethane;2-hydroxyhexanoic acid has a molecular weight of 162.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxyhexanoic acid is sourced from PubChem (CID 20976061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).