(2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane

C16H26O3 — CID 42600406

IUPAC(2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane
SMILESC=C[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C16H26O3/c1-6-11-15(4,18-11)10-8-13-16(5,19-13)9-7-12-14(2,3)17-12/h6,11-13H,1,7-10H2,2-5H3/t11-,12-,13-,15-,16-/m1/s1
InChIKeyIQQQDLJJZWGHJV-GLKFPVFTSA-N
MW266.38 g/mol
LogP3.23
Rot. Bonds7

About (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane

(2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane (PubChem CID 42600406) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane
PubChem CID42600406
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane
SMILESC=C[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C16H26O3/c1-6-11-15(4,18-11)10-8-13-16(5,19-13)9-7-12-14(2,3)17-12/h6,11-13H,1,7-10H2,2-5H3/t11-,12-,13-,15-,16-/m1/s1
InChIKeyIQQQDLJJZWGHJV-GLKFPVFTSA-N
XLogP3.23
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane?
The IUPAC name of (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane (CID 42600406) is (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane.
What is the SMILES notation for (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane?
The canonical SMILES for (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane is C=C[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C.
What is the InChIKey of (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane?
The InChIKey is IQQQDLJJZWGHJV-GLKFPVFTSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-11-15(4,18-11)10-8-13-16(5,19-13)9-7-12-14(2,3)17-12/h6,11-13H,1,7-10H2,2-5H3/t11-,12-,13-,15-,16-/m1/s1.
What are the key properties of (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane?
(2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane has a molecular weight of 266.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane is sourced from PubChem (CID 42600406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).