3-hept-1-enoxyoxetane

C10H18O2 — CID 70631626

IUPAC3-hept-1-enoxyoxetane
SMILESCCCCCC=COC1COC1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-12-10-8-11-9-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyLUNDAZJAWCOLAI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds6

About 3-hept-1-enoxyoxetane

3-hept-1-enoxyoxetane (PubChem CID 70631626) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-hept-1-enoxyoxetane.

Molecular Properties

Compound Name3-hept-1-enoxyoxetane
PubChem CID70631626
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-hept-1-enoxyoxetane
SMILESCCCCCC=COC1COC1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-12-10-8-11-9-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyLUNDAZJAWCOLAI-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
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'}

Analyze 3-hept-1-enoxyoxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oct-1-enoxymethyl)oxirane
CID 57286562
2-[[(E)-heptadec-1-enoxy]methyl]oxirane
CID 21225255
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
(Z)-1-methoxydec-1-ene
CID 10888349
1-hydroperoxyundec-1-ene
CID 140553152
(E)-1-methoxyoct-1-ene
CID 10964624
(E)-1-methoxytridec-1-ene
CID 87204968
trimethyl-[(E)-non-1-enoxy]silane
CID 5366569
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
oct-1-enyl hypoiodite
CID 88820135

Frequently Asked Questions

What is the IUPAC name of 3-hept-1-enoxyoxetane?
The IUPAC name of 3-hept-1-enoxyoxetane (CID 70631626) is 3-hept-1-enoxyoxetane.
What is the SMILES notation for 3-hept-1-enoxyoxetane?
The canonical SMILES for 3-hept-1-enoxyoxetane is CCCCCC=COC1COC1.
What is the InChIKey of 3-hept-1-enoxyoxetane?
The InChIKey is LUNDAZJAWCOLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-12-10-8-11-9-10/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 3-hept-1-enoxyoxetane?
3-hept-1-enoxyoxetane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-1-enoxyoxetane is sourced from PubChem (CID 70631626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).