3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol

C17H30O3 — CID 135074134

IUPAC3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CCCO
InChIInChI=1S/C17H30O3/c1-13(2)7-5-10-16(3)15(20-16)9-11-17(4)14(19-17)8-6-12-18/h7,14-15,18H,5-6,8-12H2,1-4H3/t14-,15+,16+,17-/m0/s1
InChIKeyLHRMCPBIYBLTFS-HZMVEIRTSA-N
MW282.42 g/mol
LogP3.60
Rot. Bonds9

About 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol

3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol (PubChem CID 135074134) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol
PubChem CID135074134
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CCCO
InChIInChI=1S/C17H30O3/c1-13(2)7-5-10-16(3)15(20-16)9-11-17(4)14(19-17)8-6-12-18/h7,14-15,18H,5-6,8-12H2,1-4H3/t14-,15+,16+,17-/m0/s1
InChIKeyLHRMCPBIYBLTFS-HZMVEIRTSA-N
XLogP3.60
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol (CID 135074134) is 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol is CC(C)=CCC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CCCO.
What is the InChIKey of 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol?
The InChIKey is LHRMCPBIYBLTFS-HZMVEIRTSA-N. The full InChI is InChI=1S/C17H30O3/c1-13(2)7-5-10-16(3)15(20-16)9-11-17(4)14(19-17)8-6-12-18/h7,14-15,18H,5-6,8-12H2,1-4H3/t14-,15+,16+,17-/m0/s1.
What are the key properties of 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol?
3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol has a molecular weight of 282.42 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propan-1-ol is sourced from PubChem (CID 135074134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).