(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol

C7H16O2 — CID 88904720

IUPAC(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
SMILESCC[C@@H](C)O[C@@H](O)CC
InChIInChI=1S/C7H16O2/c1-4-6(3)9-7(8)5-2/h6-8H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyGHWHPEUZNWNRAA-RNFRBKRXSA-N
MW132.20 g/mol
LogP1.53
Rot. Bonds4

About (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol

(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol (PubChem CID 88904720) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
PubChem CID88904720
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
SMILESCC[C@@H](C)O[C@@H](O)CC
InChIInChI=1S/C7H16O2/c1-4-6(3)9-7(8)5-2/h6-8H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyGHWHPEUZNWNRAA-RNFRBKRXSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol
CID 22833317
2-butan-2-yloxybutane;ethanol
CID 88614162
2-(1-hydroxypropoxy)propane-1,1-diol
CID 91224163
azane;2-butan-2-yloxybutane
CID 87187028
1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
CID 57483531
1-[(2S)-butan-2-yl]oxy-2,2-dimethoxyethanol
CID 144754993
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348
1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol;2-methylprop-2-enoic acid
CID 174847356
2,3-di(butan-2-yloxy)butanedioic acid
CID 87883512
2-butan-2-yloxybutane;3-methylbutan-1-ol
CID 175296093
1-propan-2-ylperoxypropan-1-ol
CID 175558686
di(butan-2-yloxy)borinic acid
CID 23050927

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol?
The IUPAC name of (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol (CID 88904720) is (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol.
What is the SMILES notation for (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol?
The canonical SMILES for (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol is CC[C@@H](C)O[C@@H](O)CC.
What is the InChIKey of (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol?
The InChIKey is GHWHPEUZNWNRAA-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-6(3)9-7(8)5-2/h6-8H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol?
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol is sourced from PubChem (CID 88904720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).