2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane

C20H30O3 — CID 139886327

IUPAC2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane
SMILESC1CC2(C3OC3COCC3OC3C34CCC(CC3)C4)CCC1C2
InChIInChI=1S/C20H30O3/c1-5-19(6-2-13(1)9-19)17-15(22-17)11-21-12-16-18(23-16)20-7-3-14(10-20)4-8-20/h13-18H,1-12H2
InChIKeyFUEWOIBQLUNSIT-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.70
Rot. Bonds6

About 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane

2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane (PubChem CID 139886327) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane
PubChem CID139886327
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane
SMILESC1CC2(C3OC3COCC3OC3C34CCC(CC3)C4)CCC1C2
InChIInChI=1S/C20H30O3/c1-5-19(6-2-13(1)9-19)17-15(22-17)11-21-12-16-18(23-16)20-7-3-14(10-20)4-8-20/h13-18H,1-12H2
InChIKeyFUEWOIBQLUNSIT-UHFFFAOYSA-N
XLogP3.70
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-(1-adamantyl)-3-(phenoxymethyl)oxirane
CID 146037741
2-(1-bicyclo[2.2.1]heptanyl)aziridine
CID 87666831
6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 166938972
4-[3-[[3-(1,4-dihydroxycyclohexa-2,4-dien-1-yl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]cyclohexa-1,5-diene-1,4-diol
CID 139886951
(1R,3S,4S,6R,9R)-9-methyl-4-[[(1R,3R,4R,6R,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane
CID 98511376
(1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane
CID 98511375
CID 170607499
CID 170607499
(1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol
CID 130125496
bicyclo[2.2.1]heptan-1-ol
CID 524266
bis(1-bicyclo[2.2.1]heptanyl)-[2-[bis(1-bicyclo[2.2.1]heptanyl)phosphanyl]ethyl]phosphane
CID 57295822
ethane;1-ethylbicyclo[2.2.1]heptane
CID 168937878
[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate
CID 91212407

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane?
The IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane (CID 139886327) is 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane?
The canonical SMILES for 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane is C1CC2(C3OC3COCC3OC3C34CCC(CC3)C4)CCC1C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane?
The InChIKey is FUEWOIBQLUNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-5-19(6-2-13(1)9-19)17-15(22-17)11-21-12-16-18(23-16)20-7-3-14(10-20)4-8-20/h13-18H,1-12H2.
What are the key properties of 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane?
2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane has a molecular weight of 318.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane is sourced from PubChem (CID 139886327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).