2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane

C27H32O4 — CID 14344432

IUPAC2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane
SMILESCC1(C)CC2(CC(C)(C)c3ccc(OCC4CO4)cc32)c2cc(OCC3CO3)ccc21
InChIInChI=1S/C27H32O4/c1-25(2)15-27(23-9-17(5-7-21(23)25)28-11-19-13-30-19)16-26(3,4)22-8-6-18(10-24(22)27)29-12-20-14-31-20/h5-10,19-20H,11-16H2,1-4H3
InChIKeyOWNWZOSKIJZXKF-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.89
Rot. Bonds6

About 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane

2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane (PubChem CID 14344432) has the molecular formula C27H32O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane
PubChem CID14344432
Molecular FormulaC27H32O4
Molecular Weight420.55 g/mol
Exact Mass420.23
IUPAC Name2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane
SMILESCC1(C)CC2(CC(C)(C)c3ccc(OCC4CO4)cc32)c2cc(OCC3CO3)ccc21
InChIInChI=1S/C27H32O4/c1-25(2)15-27(23-9-17(5-7-21(23)25)28-11-19-13-30-19)16-26(3,4)22-8-6-18(10-24(22)27)29-12-20-14-31-20/h5-10,19-20H,11-16H2,1-4H3
InChIKeyOWNWZOSKIJZXKF-UHFFFAOYSA-N
XLogP4.89
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[5'-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol
CID 54347559
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
3,3-dimethyl-5-(oxiran-2-ylmethoxy)-1H-indol-2-one
CID 10082710
1-chloro-3-[[5'-(3-chloro-2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]propan-2-ol
CID 135215491
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
[1',1',3,3-tetramethyl-6-[(E)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-enoyl]oxy-5',6'-bis[[(E)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-enyl]peroxy]-1,3'-spirobi[2H-indene]-5-yl] (E)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-enoate
CID 88884973
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-amino-5-(oxiran-2-ylmethoxy)phenol
CID 142227282
1-[[5-(2-hydroxypropoxy)-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]oxy]-3-methoxypropan-2-ol
CID 54511597
4-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)aniline
CID 87864519
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730

Frequently Asked Questions

What is the IUPAC name of 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane (CID 14344432) is 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane is CC1(C)CC2(CC(C)(C)c3ccc(OCC4CO4)cc32)c2cc(OCC3CO3)ccc21.
What is the InChIKey of 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane?
The InChIKey is OWNWZOSKIJZXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O4/c1-25(2)15-27(23-9-17(5-7-21(23)25)28-11-19-13-30-19)16-26(3,4)22-8-6-18(10-24(22)27)29-12-20-14-31-20/h5-10,19-20H,11-16H2,1-4H3.
What are the key properties of 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane?
2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane has a molecular weight of 420.55 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,1,1',1'-tetramethyl-5'-(oxiran-2-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]oxirane is sourced from PubChem (CID 14344432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).