(2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol

C11H20O2 — CID 11298354

IUPAC(2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol
SMILESCCC/C=C/[C@]1(C)O[C@@H]1[C@H](C)CO
InChIInChI=1S/C11H20O2/c1-4-5-6-7-11(3)10(13-11)9(2)8-12/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6+/t9-,10-,11+/m1/s1
InChIKeyHHSSIEMIRPCTIB-ZPYDHZESSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds5

About (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol

(2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol (PubChem CID 11298354) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol
PubChem CID11298354
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol
SMILESCCC/C=C/[C@]1(C)O[C@@H]1[C@H](C)CO
InChIInChI=1S/C11H20O2/c1-4-5-6-7-11(3)10(13-11)9(2)8-12/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6+/t9-,10-,11+/m1/s1
InChIKeyHHSSIEMIRPCTIB-ZPYDHZESSA-N
XLogP2.13
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
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'}

Analyze (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

Aspinonene
CID 44445586
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(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 10606844
(1R)-1-[(2R)-2-[(E)-prop-1-enyl]oxiran-2-yl]propan-1-ol
CID 102038736
(3S,5S,6Z)-3,5-dimethyl-2,3,4,8-tetrahydrooxocin-5-ol
CID 12153448
(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 14525993
(E,5S)-2-[(2R,3S)-3-methyloxiran-2-yl]hex-3-ene-1,2,5-triol
CID 139585724
2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol
CID 11829879
(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol
CID 12836083
2-[(3R,6S)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyran-3-yl]ethanol
CID 21628777
(3R,4S,5S,6E,10E)-5-methoxy-3-methyl-1-oxacyclododeca-6,10-dien-4-ol
CID 11715572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol (CID 11298354) is (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol is CCC/C=C/[C@]1(C)O[C@@H]1[C@H](C)CO.
What is the InChIKey of (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol?
The InChIKey is HHSSIEMIRPCTIB-ZPYDHZESSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-11(3)10(13-11)9(2)8-12/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6+/t9-,10-,11+/m1/s1.
What are the key properties of (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol?
(2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol is sourced from PubChem (CID 11298354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).