ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane

C14H28O2 — CID 144930915

IUPACethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane
SMILESCC.CC.CC/C=C\C=C(/C)OCC1CO1
InChIInChI=1S/C10H16O2.2C2H6/c1-3-4-5-6-9(2)11-7-10-8-12-10;2*1-2/h4-6,10H,3,7-8H2,1-2H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyOQIZAHRMHXOOAF-QJYMLJTBSA-N
MW228.38 g/mol
LogP4.32
Rot. Bonds5

About ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane

ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane (PubChem CID 144930915) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Nameethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane
PubChem CID144930915
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nameethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane
SMILESCC.CC.CC/C=C\C=C(/C)OCC1CO1
InChIInChI=1S/C10H16O2.2C2H6/c1-3-4-5-6-9(2)11-7-10-8-12-10;2*1-2/h4-6,10H,3,7-8H2,1-2H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyOQIZAHRMHXOOAF-QJYMLJTBSA-N
XLogP4.32
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[(2E)-4-methylpenta-2,4-dien-2-yl]oxymethyl]oxirane
CID 122500456
oxiran-2-ylmethyl (E)-pent-2-enoate
CID 19807411
oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 3-ethoxy-2-methylprop-2-enoate
CID 175102529
oxiran-2-ylmethyl (E)-non-6-enoate
CID 102240268
(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
CID 163982381
methyl (E)-3-(oxiran-2-ylmethoxy)but-2-enoate
CID 12787162
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide
CID 89415069

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane?
The IUPAC name of ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane (CID 144930915) is ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane.
What is the SMILES notation for ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane?
The canonical SMILES for ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane is CC.CC.CC/C=C\C=C(/C)OCC1CO1.
What is the InChIKey of ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane?
The InChIKey is OQIZAHRMHXOOAF-QJYMLJTBSA-N. The full InChI is InChI=1S/C10H16O2.2C2H6/c1-3-4-5-6-9(2)11-7-10-8-12-10;2*1-2/h4-6,10H,3,7-8H2,1-2H3;2*1-2H3/b5-4-,9-6+;;.
What are the key properties of ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane?
ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane has a molecular weight of 228.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 144930915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).