(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane

C30H50O5 — CID 101489559

IUPAC(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
SMILESCC(C)=CCC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1CC[C@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C30H50O5/c1-20(2)10-9-16-27(5)24(34-27)14-18-28(6)22(32-28)11-12-23-29(7,33-23)19-15-25-30(8,35-25)17-13-21-26(3,4)31-21/h10,21-25H,9,11-19H2,1-8H3/t21-,22-,23-,24+,25+,27+,28-,29-,30+/m1/s1
InChIKeyIJJCNESYOOTHAX-XAISQTGKSA-N
MW490.73 g/mol
LogP6.66
Rot. Bonds15

About (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane

(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane (PubChem CID 101489559) has the molecular formula C30H50O5 and a molecular weight of 490.73 g/mol. Its IUPAC name is (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane.

Molecular Properties

Compound Name(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
PubChem CID101489559
Molecular FormulaC30H50O5
Molecular Weight490.73 g/mol
Exact Mass490.37
IUPAC Name(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
SMILESCC(C)=CCC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1CC[C@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C30H50O5/c1-20(2)10-9-16-27(5)24(34-27)14-18-28(6)22(32-28)11-12-23-29(7,33-23)19-15-25-30(8,35-25)17-13-21-26(3,4)31-21/h10,21-25H,9,11-19H2,1-8H3/t21-,22-,23-,24+,25+,27+,28-,29-,30+/m1/s1
InChIKeyIJJCNESYOOTHAX-XAISQTGKSA-N
XLogP6.66
TPSA62.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane with MolForge

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Launch Full Analysis

Related Compounds

(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
CID 101215174
2-Methyl-2-(4-methyl-pent-3-enyl)-3-[(3E,7E)-3,8,12-trimethyl-14-(3-methyl-oxiranyl)-tetradeca-3,7-dienyl]-oxirane
CID 44306332
2,2-dimethyl-3-[3,7,12-trimethyl-14-[3-methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]-(3E,7E,11E)-3,7,11-tetradecatrienyl]oxirane
CID 44274513
(1S,4R,6S,8S,11E,15S)-1,8,12-trimethyl-4-prop-1-en-2-yl-7,16-dioxatricyclo[13.1.0.06,8]hexadec-11-ene
CID 101316745
Humulene diepoxide A
CID 91750742
(3S)-2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]tetradeca-3,7,11-trienyl]oxirane
CID 44320642
(1S,3R,5R,8R,10R,13S)-1,5,10-trimethyl-14-prop-1-en-2-yl-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadec-14-ene
CID 164613726
(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane
CID 162996030
2-[(1S,3R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]propan-2-ol
CID 163083722
(1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene
CID 10711803
Diepoxidized farnesyl acetate
CID 172916388
diepoxycembrene A
CID 163008483

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The IUPAC name of (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane (CID 101489559) is (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane.
What is the SMILES notation for (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The canonical SMILES for (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane is CC(C)=CCC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1CC[C@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)CC[C@H]1OC1(C)C.
What is the InChIKey of (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The InChIKey is IJJCNESYOOTHAX-XAISQTGKSA-N. The full InChI is InChI=1S/C30H50O5/c1-20(2)10-9-16-27(5)24(34-27)14-18-28(6)22(32-28)11-12-23-29(7,33-23)19-15-25-30(8,35-25)17-13-21-26(3,4)31-21/h10,21-25H,9,11-19H2,1-8H3/t21-,22-,23-,24+,25+,27+,28-,29-,30+/m1/s1.
What are the key properties of (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane has a molecular weight of 490.73 g/mol, XLogP of 6.66, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane is sourced from PubChem (CID 101489559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).