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

C9H16O2 — CID 14779171

IUPAC[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C9H16O2/c1-7(2)4-5-8-9(3,6-10)11-8/h4,8,10H,5-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyVVPNIPKSHOEZHF-IUCAKERBSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds3

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

[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol (PubChem CID 14779171) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
PubChem CID14779171
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C9H16O2/c1-7(2)4-5-8-9(3,6-10)11-8/h4,8,10H,5-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyVVPNIPKSHOEZHF-IUCAKERBSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol (CID 14779171) is [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol is CC(C)=CC[C@@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
The InChIKey is VVPNIPKSHOEZHF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)4-5-8-9(3,6-10)11-8/h4,8,10H,5-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol?
[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol is sourced from PubChem (CID 14779171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).