prop-1-enoxycycloheptane

C10H18O — CID 68848421

IUPACprop-1-enoxycycloheptane
SMILESCC=COC1CCCCCC1
InChIInChI=1S/C10H18O/c1-2-9-11-10-7-5-3-4-6-8-10/h2,9-10H,3-8H2,1H3
InChIKeyFDOVUQSJCOOMKH-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.26
Rot. Bonds2

About prop-1-enoxycycloheptane

prop-1-enoxycycloheptane (PubChem CID 68848421) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is prop-1-enoxycycloheptane.

Molecular Properties

Compound Nameprop-1-enoxycycloheptane
PubChem CID68848421
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nameprop-1-enoxycycloheptane
SMILESCC=COC1CCCCCC1
InChIInChI=1S/C10H18O/c1-2-9-11-10-7-5-3-4-6-8-10/h2,9-10H,3-8H2,1H3
InChIKeyFDOVUQSJCOOMKH-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze prop-1-enoxycycloheptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-1-enoxycycloheptane?
The IUPAC name of prop-1-enoxycycloheptane (CID 68848421) is prop-1-enoxycycloheptane.
What is the SMILES notation for prop-1-enoxycycloheptane?
The canonical SMILES for prop-1-enoxycycloheptane is CC=COC1CCCCCC1.
What is the InChIKey of prop-1-enoxycycloheptane?
The InChIKey is FDOVUQSJCOOMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-9-11-10-7-5-3-4-6-8-10/h2,9-10H,3-8H2,1H3.
What are the key properties of prop-1-enoxycycloheptane?
prop-1-enoxycycloheptane has a molecular weight of 154.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enoxycycloheptane is sourced from PubChem (CID 68848421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).