[(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol

C8H14O2 — CID 11804861

IUPAC[(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CC[C@]1(CO)CO1
InChIInChI=1S/C8H14O2/c1-7(2)3-4-8(5-9)6-10-8/h3,9H,4-6H2,1-2H3/t8-/m0/s1
InChIKeyCRFXTKSYELYFJM-QMMMGPOBSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds3

About [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol

[(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol (PubChem CID 11804861) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol
PubChem CID11804861
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CC[C@]1(CO)CO1
InChIInChI=1S/C8H14O2/c1-7(2)3-4-8(5-9)6-10-8/h3,9H,4-6H2,1-2H3/t8-/m0/s1
InChIKeyCRFXTKSYELYFJM-QMMMGPOBSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 11073664
[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 14779171
(E)-(2-(4,8-Dimethylnona-3,7-dien-1-yl)oxiran-2-yl)methanol
CID 60147461
[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol
CID 134973228
[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 11768817
[2-Methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 14779170
4-Methyl-1-(oxiran-2-yl)pent-3-en-1-ol
CID 23045524
2,5-Dimethylhex-4-ene-1,2-diol
CID 85381392
[2-(4-Methylpent-3-enyl)oxiran-2-yl]methanol
CID 85819468
1-(2-Methyloxiran-2-yl)but-2-en-1-ol
CID 154457227
[(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 10749424
(2S)-2,5-dimethylhex-4-ene-1,2-diol
CID 11051792

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol (CID 11804861) is [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol is CC(C)=CC[C@]1(CO)CO1.
What is the InChIKey of [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
The InChIKey is CRFXTKSYELYFJM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)3-4-8(5-9)6-10-8/h3,9H,4-6H2,1-2H3/t8-/m0/s1.
What are the key properties of [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
[(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol is sourced from PubChem (CID 11804861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).