2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane

C116H142O15 — CID 163655434

IUPAC2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
SMILESC=CCOc1c(CC2CC2)cccc1CC1CO1.C=CCc1cc(-c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C=CCc1cc(C(C)(C)c2ccc(OCC3(CC)COC3)c(CC=C)c2)ccc1OCC1(CC)CCC1.C=CCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C=CCc1cccc(CC=C)c1OCC1CO1
InChIInChI=1S/C34H46O3.C27H32O4.C24H26O4.C16H20O2.C15H18O2/c1-7-12-26-20-28(14-16-30(26)36-24-33(9-3)18-11-19-33)32(5,6)29-15-17-31(27(21-29)13-8-2)37-25-34(10-4)22-35-23-34;1-5-7-19-13-21(9-11-25(19)30-17-23-15-28-23)27(3,4)22-10-12-26(20(14-22)8-6-2)31-18-24-16-29-24;1-3-5-19-11-17(7-9-23(19)27-15-21-13-25-21)18-8-10-24(20(12-18)6-4-2)28-16-22-14-26-22;1-2-8-17-16-13(9-12-6-7-12)4-3-5-14(16)10-15-11-18-15;1-3-6-12-8-5-9-13(7-4-2)15(12)17-11-14-10-16-14/h7-8,14-17,20-21H,1-2,9-13,18-19,22-25H2,3-6H3;5-6,9-14,23-24H,1-2,7-8,15-18H2,3-4H3;3-4,7-12,21-22H,1-2,5-6,13-16H2;2-5,12,15H,1,6-11H2;3-5,8-9,14H,1-2,6-7,10-11H2
InChIKeyIPVALDUYOSZYAT-UHFFFAOYSA-N
MW1776.40 g/mol
LogP23.69
Rot. Bonds51

About 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane

2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane (PubChem CID 163655434) has the molecular formula C116H142O15 and a molecular weight of 1776.40 g/mol. Its IUPAC name is 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
PubChem CID163655434
Molecular FormulaC116H142O15
Molecular Weight1776.40 g/mol
Exact Mass1775.03
IUPAC Name2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
SMILESC=CCOc1c(CC2CC2)cccc1CC1CO1.C=CCc1cc(-c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C=CCc1cc(C(C)(C)c2ccc(OCC3(CC)COC3)c(CC=C)c2)ccc1OCC1(CC)CCC1.C=CCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C=CCc1cccc(CC=C)c1OCC1CO1
InChIInChI=1S/C34H46O3.C27H32O4.C24H26O4.C16H20O2.C15H18O2/c1-7-12-26-20-28(14-16-30(26)36-24-33(9-3)18-11-19-33)32(5,6)29-15-17-31(27(21-29)13-8-2)37-25-34(10-4)22-35-23-34;1-5-7-19-13-21(9-11-25(19)30-17-23-15-28-23)27(3,4)22-10-12-26(20(14-22)8-6-2)31-18-24-16-29-24;1-3-5-19-11-17(7-9-23(19)27-15-21-13-25-21)18-8-10-24(20(12-18)6-4-2)28-16-22-14-26-22;1-2-8-17-16-13(9-12-6-7-12)4-3-5-14(16)10-15-11-18-15;1-3-6-12-8-5-9-13(7-4-2)15(12)17-11-14-10-16-14/h7-8,14-17,20-21H,1-2,9-13,18-19,22-25H2,3-6H3;5-6,9-14,23-24H,1-2,7-8,15-18H2,3-4H3;3-4,7-12,21-22H,1-2,5-6,13-16H2;2-5,12,15H,1,6-11H2;3-5,8-9,14H,1-2,6-7,10-11H2
InChIKeyIPVALDUYOSZYAT-UHFFFAOYSA-N
XLogP23.69
TPSA158.25 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds51
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.40
LogP ≤ 523.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane (CID 163655434) is 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane is C=CCOc1c(CC2CC2)cccc1CC1CO1.C=CCc1cc(-c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C=CCc1cc(C(C)(C)c2ccc(OCC3(CC)COC3)c(CC=C)c2)ccc1OCC1(CC)CCC1.C=CCc1cc(C(C)(C)c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C=CCc1cccc(CC=C)c1OCC1CO1.
What is the InChIKey of 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The InChIKey is IPVALDUYOSZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O3.C27H32O4.C24H26O4.C16H20O2.C15H18O2/c1-7-12-26-20-28(14-16-30(26)36-24-33(9-3)18-11-19-33)32(5,6)29-15-17-31(27(21-29)13-8-2)37-25-34(10-4)22-35-23-34;1-5-7-19-13-21(9-11-25(19)30-17-23-15-28-23)27(3,4)22-10-12-26(20(14-22)8-6-2)31-18-24-16-29-24;1-3-5-19-11-17(7-9-23(19)27-15-21-13-25-21)18-8-10-24(20(12-18)6-4-2)28-16-22-14-26-22;1-2-8-17-16-13(9-12-6-7-12)4-3-5-14(16)10-15-11-18-15;1-3-6-12-8-5-9-13(7-4-2)15(12)17-11-14-10-16-14/h7-8,14-17,20-21H,1-2,9-13,18-19,22-25H2,3-6H3;5-6,9-14,23-24H,1-2,7-8,15-18H2,3-4H3;3-4,7-12,21-22H,1-2,5-6,13-16H2;2-5,12,15H,1,6-11H2;3-5,8-9,14H,1-2,6-7,10-11H2.
What are the key properties of 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane has a molecular weight of 1776.40 g/mol, XLogP of 23.69, 51 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane;2-[[3-(cyclopropylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;3-ethyl-3-[[4-[2-[4-[(1-ethylcyclobutyl)methoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxetane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane is sourced from PubChem (CID 163655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).