2-[(E)-hex-1-enyl]-2-methyloxetane

C10H18O — CID 135024855

IUPAC2-[(E)-hex-1-enyl]-2-methyloxetane
SMILESCCCC/C=C/C1(C)CCO1
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-10(2)8-9-11-10/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKeyWNDDVKSFZSFVLD-VOTSOKGWSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds4

About 2-[(E)-hex-1-enyl]-2-methyloxetane

2-[(E)-hex-1-enyl]-2-methyloxetane (PubChem CID 135024855) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]-2-methyloxetane.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]-2-methyloxetane
PubChem CID135024855
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(E)-hex-1-enyl]-2-methyloxetane
SMILESCCCC/C=C/C1(C)CCO1
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-10(2)8-9-11-10/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKeyWNDDVKSFZSFVLD-VOTSOKGWSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-1-enyl]-2-methyloxetane?
The IUPAC name of 2-[(E)-hex-1-enyl]-2-methyloxetane (CID 135024855) is 2-[(E)-hex-1-enyl]-2-methyloxetane.
What is the SMILES notation for 2-[(E)-hex-1-enyl]-2-methyloxetane?
The canonical SMILES for 2-[(E)-hex-1-enyl]-2-methyloxetane is CCCC/C=C/C1(C)CCO1.
What is the InChIKey of 2-[(E)-hex-1-enyl]-2-methyloxetane?
The InChIKey is WNDDVKSFZSFVLD-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-10(2)8-9-11-10/h6-7H,3-5,8-9H2,1-2H3/b7-6+.
What are the key properties of 2-[(E)-hex-1-enyl]-2-methyloxetane?
2-[(E)-hex-1-enyl]-2-methyloxetane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]-2-methyloxetane is sourced from PubChem (CID 135024855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).