[(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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Related Compounds

6,10-Dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
CID 75987722
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
Linalool oxide (5-ring)
CID 102611
Aspinonene
CID 44445586
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 11116488
2-(3-Methyloxiran-2-yl)hex-3-ene-1,2,5-triol
CID 78069873
(E,5S)-2-[(2R,3S)-3-methyloxiran-2-yl]hex-3-ene-1,2,5-triol
CID 139585724
(1R,3E,7E,11E)-3,7,11,16-tetramethyl-1-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]heptadeca-3,7,11-triene-1,15,16-triol
CID 139587442
(1S,2Z)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpenta-2,4-dien-1-ol
CID 162871131
(1S,2E)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpenta-2,4-dien-1-ol
CID 162871132

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).