[(2S)-2-propan-2-yloxiran-2-yl]methanol

C6H12O2 — CID 130635963

IUPAC[(2S)-2-propan-2-yloxiran-2-yl]methanol
SMILESCC(C)[C@]1(CO)CO1
InChIInChI=1S/C6H12O2/c1-5(2)6(3-7)4-8-6/h5,7H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyDCWSJFMTEFASTG-LURJTMIESA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds2

About [(2S)-2-propan-2-yloxiran-2-yl]methanol

[(2S)-2-propan-2-yloxiran-2-yl]methanol (PubChem CID 130635963) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is [(2S)-2-propan-2-yloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-propan-2-yloxiran-2-yl]methanol
PubChem CID130635963
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name[(2S)-2-propan-2-yloxiran-2-yl]methanol
SMILESCC(C)[C@]1(CO)CO1
InChIInChI=1S/C6H12O2/c1-5(2)6(3-7)4-8-6/h5,7H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyDCWSJFMTEFASTG-LURJTMIESA-N
XLogP0.40
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-propan-2-yloxolan-2-yl)methanol
CID 130663266
(7-methyl-3-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
CID 69471532
2-hexyl-2-propan-2-yloxirane
CID 170634762
[(2S)-2-[(3S)-heptan-3-yl]oxiran-2-yl]methanol
CID 56631073
ethane;2-ethyl-2-propan-2-yloxolane
CID 156888373
2-bromo-1,2-bis[2-(hydroxymethyl)oxetan-2-yl]ethanol
CID 129048700
[1-[methyl(propan-2-yl)amino]cyclopropyl]methanol;hydrochloride
CID 90101625
1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
CID 102551269
[2-(propan-2-ylamino)oxolan-2-yl]methanol
CID 146535477
[2-(1-aminobutyl)-1,4-dioxan-2-yl]methanol
CID 57290104
(2,2,3-trimethyloxetan-3-yl)methanol
CID 102216721
N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine
CID 130624449

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-propan-2-yloxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-propan-2-yloxiran-2-yl]methanol (CID 130635963) is [(2S)-2-propan-2-yloxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-propan-2-yloxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-propan-2-yloxiran-2-yl]methanol is CC(C)[C@]1(CO)CO1.
What is the InChIKey of [(2S)-2-propan-2-yloxiran-2-yl]methanol?
The InChIKey is DCWSJFMTEFASTG-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)6(3-7)4-8-6/h5,7H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of [(2S)-2-propan-2-yloxiran-2-yl]methanol?
[(2S)-2-propan-2-yloxiran-2-yl]methanol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-propan-2-yloxiran-2-yl]methanol is sourced from PubChem (CID 130635963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).