(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol

C9H14O2 — CID 11298080

IUPAC(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@]1(CC(=C)C)CO1
InChIInChI=1S/C9H14O2/c1-4-8(10)9(6-11-9)5-7(2)3/h4,8,10H,1-2,5-6H2,3H3/t8-,9+/m0/s1
InChIKeyDSGMQHXUNVCIOI-DTWKUNHWSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds4

About (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol

(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol (PubChem CID 11298080) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol
PubChem CID11298080
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@]1(CC(=C)C)CO1
InChIInChI=1S/C9H14O2/c1-4-8(10)9(6-11-9)5-7(2)3/h4,8,10H,1-2,5-6H2,3H3/t8-,9+/m0/s1
InChIKeyDSGMQHXUNVCIOI-DTWKUNHWSA-N
XLogP1.27
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
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

(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 11768585
[(2S,3S)-3-but-3-enyl-3-methyloxiran-2-yl]methanol
CID 16752800
1-(3,3-Dimethyloxiran-2-yl)-2-methylidenebut-3-en-1-ol
CID 134993047
(1S)-1-[(2R)-2-methyloxiran-2-yl]but-3-en-1-ol
CID 138977530
2-(3,3-Dimethyloxiran-2-yl)pent-4-en-2-ol
CID 170847998
(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-en-1-ol
CID 14565784
1-(3,3-Dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 14006250
1-(2-Methyloxiran-2-yl)but-3-en-1-ol
CID 56996643
3-Methyl-5-methylidenehept-1-ene-3,4-diol
CID 57221376
(1S)-1-(3,3-dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 57752023
(1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol
CID 58223637
(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-en-1-ol
CID 58223659

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol (CID 11298080) is (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol is C=C[C@H](O)[C@@]1(CC(=C)C)CO1.
What is the InChIKey of (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol?
The InChIKey is DSGMQHXUNVCIOI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-8(10)9(6-11-9)5-7(2)3/h4,8,10H,1-2,5-6H2,3H3/t8-,9+/m0/s1.
What are the key properties of (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol?
(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11298080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).