6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate

C22H30O6 — CID 59702403

IUPAC6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCCCCCCOC(=O)C(=C)C12COCC1C2)C12COCC1C2
InChIInChI=1S/C22H30O6/c1-15(21-9-17(21)11-25-13-21)19(23)27-7-5-3-4-6-8-28-20(24)16(2)22-10-18(22)12-26-14-22/h17-18H,1-14H2
InChIKeyJACFAIWTRDFTRY-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.82
Rot. Bonds11

About 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate

6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate (PubChem CID 59702403) has the molecular formula C22H30O6 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate.

Molecular Properties

Compound Name6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate
PubChem CID59702403
Molecular FormulaC22H30O6
Molecular Weight390.48 g/mol
Exact Mass390.20
IUPAC Name6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCCCCCCOC(=O)C(=C)C12COCC1C2)C12COCC1C2
InChIInChI=1S/C22H30O6/c1-15(21-9-17(21)11-25-13-21)19(23)27-7-5-3-4-6-8-28-20(24)16(2)22-10-18(22)12-26-14-22/h17-18H,1-14H2
InChIKeyJACFAIWTRDFTRY-UHFFFAOYSA-N
XLogP2.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate with MolForge

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Related Compounds

ethyl 3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 123179278
lithium;2-(1-bicyclo[3.1.0]hexanyl)prop-2-enoic acid;6-[2-(1-bicyclo[3.1.0]hexanyl)prop-2-enoyloxy]hexyl 2-(1-bicyclo[3.1.0]hexanyl)prop-2-enoate;hexane-1,6-diol;methyl 2-(1-bicyclo[3.1.0]hexanyl)prop-2-enoate;hydroxide
CID 161193601
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
6-trimethylsilyloxyhexyl 2-methylprop-2-enoate
CID 86065689
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
20-trifluorosilylicosyl 2-methylprop-2-enoate
CID 156681437
tetradecyl 2-sulfanylprop-2-enoate
CID 150466846
4-hydroxybutyl 2-aminoprop-2-enoate
CID 141230887
6-[2-(bromomethyl)prop-2-enoyloxy]hexyl 2-(bromomethyl)prop-2-enoate
CID 162492547
6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate
CID 89376003
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate?
The IUPAC name of 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate (CID 59702403) is 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate.
What is the SMILES notation for 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate?
The canonical SMILES for 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate is C=C(C(=O)OCCCCCCOC(=O)C(=C)C12COCC1C2)C12COCC1C2.
What is the InChIKey of 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate?
The InChIKey is JACFAIWTRDFTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O6/c1-15(21-9-17(21)11-25-13-21)19(23)27-7-5-3-4-6-8-28-20(24)16(2)22-10-18(22)12-26-14-22/h17-18H,1-14H2.
What are the key properties of 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate?
6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate has a molecular weight of 390.48 g/mol, XLogP of 2.82, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoyloxy]hexyl 2-(3-oxabicyclo[3.1.0]hexan-1-yl)prop-2-enoate is sourced from PubChem (CID 59702403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).