2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane

C10H16O2 — CID 122551084

IUPAC2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane
SMILESC=C(CC/C=C\C)OCC1CO1
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9(2)11-7-10-8-12-10/h3-4,10H,2,5-8H2,1H3/b4-3-
InChIKeyIQAMRVLGIOVCIO-ARJAWSKDSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds6

About 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane

2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane (PubChem CID 122551084) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane
PubChem CID122551084
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane
SMILESC=C(CC/C=C\C)OCC1CO1
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9(2)11-7-10-8-12-10/h3-4,10H,2,5-8H2,1H3/b4-3-
InChIKeyIQAMRVLGIOVCIO-ARJAWSKDSA-N
XLogP2.27
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane (CID 122551084) is 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane is C=C(CC/C=C\C)OCC1CO1.
What is the InChIKey of 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane?
The InChIKey is IQAMRVLGIOVCIO-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-9(2)11-7-10-8-12-10/h3-4,10H,2,5-8H2,1H3/b4-3-.
What are the key properties of 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane?
2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane has a molecular weight of 168.24 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5Z)-hepta-1,5-dien-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 122551084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).