acetic acid;1-(2-hydroxyethoxy)hexan-2-ol

C10H22O5 — CID 87319718

IUPACacetic acid;1-(2-hydroxyethoxy)hexan-2-ol
SMILESCC(=O)O.CCCCC(O)COCCO
InChIInChI=1S/C8H18O3.C2H4O2/c1-2-3-4-8(10)7-11-6-5-9;1-2(3)4/h8-10H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyMOLJQGQRQUNWRW-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.64
Rot. Bonds7

About acetic acid;1-(2-hydroxyethoxy)hexan-2-ol

acetic acid;1-(2-hydroxyethoxy)hexan-2-ol (PubChem CID 87319718) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is acetic acid;1-(2-hydroxyethoxy)hexan-2-ol.

Molecular Properties

Compound Nameacetic acid;1-(2-hydroxyethoxy)hexan-2-ol
PubChem CID87319718
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Nameacetic acid;1-(2-hydroxyethoxy)hexan-2-ol
SMILESCC(=O)O.CCCCC(O)COCCO
InChIInChI=1S/C8H18O3.C2H4O2/c1-2-3-4-8(10)7-11-6-5-9;1-2(3)4/h8-10H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyMOLJQGQRQUNWRW-UHFFFAOYSA-N
XLogP0.64
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
CID 88661046
butanedioic acid;1-(2-hydroxyethoxy)hexan-2-ol;1-(2-hydroxyethoxy)propan-2-ol
CID 161461664
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
acetic acid;nonan-5-ol
CID 53445479
disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
CID 172848066
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
5-hydroxy-6-(2-hydroxyethoxy)hexanamide
CID 175269761
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(2-hydroxyethoxy)hexan-2-ol?
The IUPAC name of acetic acid;1-(2-hydroxyethoxy)hexan-2-ol (CID 87319718) is acetic acid;1-(2-hydroxyethoxy)hexan-2-ol.
What is the SMILES notation for acetic acid;1-(2-hydroxyethoxy)hexan-2-ol?
The canonical SMILES for acetic acid;1-(2-hydroxyethoxy)hexan-2-ol is CC(=O)O.CCCCC(O)COCCO.
What is the InChIKey of acetic acid;1-(2-hydroxyethoxy)hexan-2-ol?
The InChIKey is MOLJQGQRQUNWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C2H4O2/c1-2-3-4-8(10)7-11-6-5-9;1-2(3)4/h8-10H,2-7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(2-hydroxyethoxy)hexan-2-ol?
acetic acid;1-(2-hydroxyethoxy)hexan-2-ol has a molecular weight of 222.28 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(2-hydroxyethoxy)hexan-2-ol is sourced from PubChem (CID 87319718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).