(2S)-1-octoxypropan-2-ol

C11H24O2 — CID 55250295

IUPAC(2S)-1-octoxypropan-2-ol
SMILESCCCCCCCCOC[C@H](C)O
InChIInChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-10-11(2)12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDEKZZBICBJGBCZ-NSHDSACASA-N
MW188.31 g/mol
LogP2.74
Rot. Bonds9

About (2S)-1-octoxypropan-2-ol

(2S)-1-octoxypropan-2-ol (PubChem CID 55250295) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (2S)-1-octoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-octoxypropan-2-ol
PubChem CID55250295
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(2S)-1-octoxypropan-2-ol
SMILESCCCCCCCCOC[C@H](C)O
InChIInChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-10-11(2)12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDEKZZBICBJGBCZ-NSHDSACASA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tridecoxypropan-2-ol
CID 19798268
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
(2S)-1-butoxypropan-2-ol
CID 54289557
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
1-[1-(2-docosoxyethoxy)pentacosan-2-yloxy]propan-2-ol
CID 169296789
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2S)-1-octoxybutan-2-ol
CID 88988399

Frequently Asked Questions

What is the IUPAC name of (2S)-1-octoxypropan-2-ol?
The IUPAC name of (2S)-1-octoxypropan-2-ol (CID 55250295) is (2S)-1-octoxypropan-2-ol.
What is the SMILES notation for (2S)-1-octoxypropan-2-ol?
The canonical SMILES for (2S)-1-octoxypropan-2-ol is CCCCCCCCOC[C@H](C)O.
What is the InChIKey of (2S)-1-octoxypropan-2-ol?
The InChIKey is DEKZZBICBJGBCZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-10-11(2)12/h11-12H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-octoxypropan-2-ol?
(2S)-1-octoxypropan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-octoxypropan-2-ol is sourced from PubChem (CID 55250295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).