2-(hept-6-enoxymethyl)oxirane

C10H18O2 — CID 22934435

IUPAC2-(hept-6-enoxymethyl)oxirane
SMILESC=CCCCCCOCC1CO1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h2,10H,1,3-9H2
InChIKeyPLLFMVQETXPIDT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds8

About 2-(hept-6-enoxymethyl)oxirane

2-(hept-6-enoxymethyl)oxirane (PubChem CID 22934435) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(hept-6-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(hept-6-enoxymethyl)oxirane
PubChem CID22934435
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(hept-6-enoxymethyl)oxirane
SMILESC=CCCCCCOCC1CO1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h2,10H,1,3-9H2
InChIKeyPLLFMVQETXPIDT-UHFFFAOYSA-N
XLogP2.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxirane, [(10-undecenyloxy)methyl]-
CID 10353667
2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 11195175
Dec-9-enyl glycidyl ether
CID 85768839
(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane
CID 146169551
(2R,3R)-2-(ethoxymethyl)-3-hept-6-enyloxirane
CID 146169552
(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
CID 10634717
2-Hex-5-enyl-1,4,7,10-tetraoxacyclododecane
CID 14406023
2-[1-[(E)-but-1-enoxy]butyl]oxirane
CID 19753507
Oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 22281013
2-(Hex-5-enoxymethyl)oxirane
CID 22934445
2-(Oct-7-enoxymethyl)oxirane
CID 22934454
2-(Pent-4-enoxymethyl)oxirane
CID 23466507

Frequently Asked Questions

What is the IUPAC name of 2-(hept-6-enoxymethyl)oxirane?
The IUPAC name of 2-(hept-6-enoxymethyl)oxirane (CID 22934435) is 2-(hept-6-enoxymethyl)oxirane.
What is the SMILES notation for 2-(hept-6-enoxymethyl)oxirane?
The canonical SMILES for 2-(hept-6-enoxymethyl)oxirane is C=CCCCCCOCC1CO1.
What is the InChIKey of 2-(hept-6-enoxymethyl)oxirane?
The InChIKey is PLLFMVQETXPIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h2,10H,1,3-9H2.
What are the key properties of 2-(hept-6-enoxymethyl)oxirane?
2-(hept-6-enoxymethyl)oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hept-6-enoxymethyl)oxirane is sourced from PubChem (CID 22934435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).