3-[(2R)-butan-2-yl]oxypropan-1-ol

C7H16O2 — CID 5315839

IUPAC3-[(2R)-butan-2-yl]oxypropan-1-ol
SMILESCC[C@@H](C)OCCCO
InChIInChI=1S/C7H16O2/c1-3-7(2)9-6-4-5-8/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyAOCNNFWFNNLLAV-SSDOTTSWSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds5

About 3-[(2R)-butan-2-yl]oxypropan-1-ol

3-[(2R)-butan-2-yl]oxypropan-1-ol (PubChem CID 5315839) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]oxypropan-1-ol
PubChem CID5315839
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name3-[(2R)-butan-2-yl]oxypropan-1-ol
SMILESCC[C@@H](C)OCCCO
InChIInChI=1S/C7H16O2/c1-3-7(2)9-6-4-5-8/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyAOCNNFWFNNLLAV-SSDOTTSWSA-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'}

Analyze 3-[(2R)-butan-2-yl]oxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butan-2-yloxyheptan-1-ol
CID 90727194
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol
CID 90890219
6-butan-2-yloxyhexan-3-one
CID 106801966
3-butan-2-yloxypropan-1-amine
CID 54795719
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
3-butan-2-yloxypropyl acetate
CID 134215719
(4R)-4-propoxypentan-1-ol
CID 54320299
3-(1-ethoxypropoxy)propan-1-ol
CID 57019436
4-butan-2-yloxybutane-1-sulfonic acid
CID 90852132
2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87748726

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]oxypropan-1-ol?
The IUPAC name of 3-[(2R)-butan-2-yl]oxypropan-1-ol (CID 5315839) is 3-[(2R)-butan-2-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[(2R)-butan-2-yl]oxypropan-1-ol?
The canonical SMILES for 3-[(2R)-butan-2-yl]oxypropan-1-ol is CC[C@@H](C)OCCCO.
What is the InChIKey of 3-[(2R)-butan-2-yl]oxypropan-1-ol?
The InChIKey is AOCNNFWFNNLLAV-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-7(2)9-6-4-5-8/h7-8H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-[(2R)-butan-2-yl]oxypropan-1-ol?
3-[(2R)-butan-2-yl]oxypropan-1-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 3-[(2R)-butan-2-yl]oxypropan-1-ol is sourced from PubChem (CID 5315839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).