acetic acid;2-methoxyhexan-1-ol

C9H20O4 — CID 71318556

IUPACacetic acid;2-methoxyhexan-1-ol
SMILESCC(=O)O.CCCCC(CO)OC
InChIInChI=1S/C7H16O2.C2H4O2/c1-3-4-5-7(6-8)9-2;1-2(3)4/h7-8H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyHVVRGFBAONQVJA-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.27
Rot. Bonds5

About acetic acid;2-methoxyhexan-1-ol

acetic acid;2-methoxyhexan-1-ol (PubChem CID 71318556) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is acetic acid;2-methoxyhexan-1-ol.

Molecular Properties

Compound Nameacetic acid;2-methoxyhexan-1-ol
PubChem CID71318556
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Nameacetic acid;2-methoxyhexan-1-ol
SMILESCC(=O)O.CCCCC(CO)OC
InChIInChI=1S/C7H16O2.C2H4O2/c1-3-4-5-7(6-8)9-2;1-2(3)4/h7-8H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyHVVRGFBAONQVJA-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyhexan-1-ol
CID 12754599
acetic acid;4-octan-4-yloxyoctane
CID 175036803
4-methoxyundecan-2-one
CID 14005013
(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid
CID 58488948
2-butoxyhexan-1-ol;tris(ethane-1,2-diol);3-oxobutanoic acid
CID 173046778
(5S)-5-methoxyundecane
CID 118889956
4-methoxydodecanoic acid
CID 141170784
13-methoxyhenicosanoic acid
CID 15389271
3-methoxynonanoic acid
CID 139673009
7-methoxy-2,2-dimethylundecanoic acid
CID 88582161
2-methoxyoctadecane-1,18-diol
CID 139894208
9-methoxyhexadec-2-enoic acid
CID 163192644

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methoxyhexan-1-ol?
The IUPAC name of acetic acid;2-methoxyhexan-1-ol (CID 71318556) is acetic acid;2-methoxyhexan-1-ol.
What is the SMILES notation for acetic acid;2-methoxyhexan-1-ol?
The canonical SMILES for acetic acid;2-methoxyhexan-1-ol is CC(=O)O.CCCCC(CO)OC.
What is the InChIKey of acetic acid;2-methoxyhexan-1-ol?
The InChIKey is HVVRGFBAONQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C2H4O2/c1-3-4-5-7(6-8)9-2;1-2(3)4/h7-8H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methoxyhexan-1-ol?
acetic acid;2-methoxyhexan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methoxyhexan-1-ol is sourced from PubChem (CID 71318556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).