[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol

C10H18O2 — CID 101259052

IUPAC[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CCC[C@]1(C)OC1CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyRZRBXGPSHVAUQO-AXDSSHIGSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds4

About [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol

[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol (PubChem CID 101259052) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
PubChem CID101259052
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
SMILESCC(C)=CCC[C@]1(C)OC1CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyRZRBXGPSHVAUQO-AXDSSHIGSA-N
XLogP1.88
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
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

(2S)-3-(bromomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 121298365
(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 11425969
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
CID 12624048
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
4-[3-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]oxiran-2-yl]butan-2-one
CID 175675030
(E)-2-[2-[(2R,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]ethyl]but-2-ene-1,4-diol
CID 162904615
(E,3S)-9-[(2S,3S)-3-[2-[(2S,3S)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2,6-dimethylnon-6-ene-2,3-diol
CID 101054072
(2R,3S)-3-[(Z)-but-1-enyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 53350122
3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 21403436
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
The IUPAC name of [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol (CID 101259052) is [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
The canonical SMILES for [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol is CC(C)=CCC[C@]1(C)OC1CO.
What is the InChIKey of [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
The InChIKey is RZRBXGPSHVAUQO-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol?
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol is sourced from PubChem (CID 101259052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).