2-(1-ethenoxypentan-3-yl)oxirane

C9H16O2 — CID 151132472

IUPAC2-(1-ethenoxypentan-3-yl)oxirane
SMILESC=COCCC(CC)C1CO1
InChIInChI=1S/C9H16O2/c1-3-8(9-7-11-9)5-6-10-4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyMUNAJWKBGMUCJG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds6

About 2-(1-ethenoxypentan-3-yl)oxirane

2-(1-ethenoxypentan-3-yl)oxirane (PubChem CID 151132472) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-ethenoxypentan-3-yl)oxirane.

Molecular Properties

Compound Name2-(1-ethenoxypentan-3-yl)oxirane
PubChem CID151132472
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(1-ethenoxypentan-3-yl)oxirane
SMILESC=COCCC(CC)C1CO1
InChIInChI=1S/C9H16O2/c1-3-8(9-7-11-9)5-6-10-4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyMUNAJWKBGMUCJG-UHFFFAOYSA-N
XLogP1.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-Bis(ethenyloxy)-3-methylpentane
CID 57158046
2-[(5-Ethenoxy-3-methylpentoxy)methyl]oxirane
CID 140061453
2-(1-Ethenoxybutan-2-yl)oxirane
CID 141518964
2-(1-Prop-1-enoxypentan-3-yl)oxirane
CID 149823673
2-(4-Prop-1-enoxybutan-2-yl)oxirane
CID 150088170
2-[1-(2-Methylprop-1-enoxy)pentan-3-yl]oxirane
CID 151716142
2-(4-Ethenoxybutan-2-yl)oxirane
CID 152010777
2-(3-Ethenoxypropyl)-2-ethyloxirane
CID 176603120

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxypentan-3-yl)oxirane?
The IUPAC name of 2-(1-ethenoxypentan-3-yl)oxirane (CID 151132472) is 2-(1-ethenoxypentan-3-yl)oxirane.
What is the SMILES notation for 2-(1-ethenoxypentan-3-yl)oxirane?
The canonical SMILES for 2-(1-ethenoxypentan-3-yl)oxirane is C=COCCC(CC)C1CO1.
What is the InChIKey of 2-(1-ethenoxypentan-3-yl)oxirane?
The InChIKey is MUNAJWKBGMUCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8(9-7-11-9)5-6-10-4-2/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of 2-(1-ethenoxypentan-3-yl)oxirane?
2-(1-ethenoxypentan-3-yl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxypentan-3-yl)oxirane is sourced from PubChem (CID 151132472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).