(2S)-1-butoxypropan-2-ol

C7H16O2 — CID 54289557

IUPAC(2S)-1-butoxypropan-2-ol
SMILESCCCCOC[C@H](C)O
InChIInChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRWNUSVWFHDHRCJ-ZETCQYMHSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds5

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

(2S)-1-butoxypropan-2-ol (PubChem CID 54289557) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2S)-1-butoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-butoxypropan-2-ol
PubChem CID54289557
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2S)-1-butoxypropan-2-ol
SMILESCCCCOC[C@H](C)O
InChIInChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRWNUSVWFHDHRCJ-ZETCQYMHSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
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-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
1-(butoxymethoxy)propan-2-ol
CID 131855718
1-butoxypropan-2-ol;propanoic acid
CID 87504807
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
butane-2,3-diol;1-butoxybutane
CID 87169993
5-butoxy-4-methoxypentan-2-ol
CID 89084947
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
(2R)-1-butoxybutan-2-ol
CID 27255938
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butoxypropan-2-ol?
The IUPAC name of (2S)-1-butoxypropan-2-ol (CID 54289557) is (2S)-1-butoxypropan-2-ol.
What is the SMILES notation for (2S)-1-butoxypropan-2-ol?
The canonical SMILES for (2S)-1-butoxypropan-2-ol is CCCCOC[C@H](C)O.
What is the InChIKey of (2S)-1-butoxypropan-2-ol?
The InChIKey is RWNUSVWFHDHRCJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-butoxypropan-2-ol?
(2S)-1-butoxypropan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butoxypropan-2-ol is sourced from PubChem (CID 54289557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).