2-prop-2-enoxyoctane

C11H22O — CID 14970998

IUPAC2-prop-2-enoxyoctane
SMILESC=CCOC(C)CCCCCC
InChIInChI=1S/C11H22O/c1-4-6-7-8-9-11(3)12-10-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyPWWOKMXYIAKHJR-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds8

About 2-prop-2-enoxyoctane

2-prop-2-enoxyoctane (PubChem CID 14970998) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-prop-2-enoxyoctane.

Molecular Properties

Compound Name2-prop-2-enoxyoctane
PubChem CID14970998
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-prop-2-enoxyoctane
SMILESC=CCOC(C)CCCCCC
InChIInChI=1S/C11H22O/c1-4-6-7-8-9-11(3)12-10-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyPWWOKMXYIAKHJR-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
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'}

Analyze 2-prop-2-enoxyoctane 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 2-prop-2-enoxyoctane?
The IUPAC name of 2-prop-2-enoxyoctane (CID 14970998) is 2-prop-2-enoxyoctane.
What is the SMILES notation for 2-prop-2-enoxyoctane?
The canonical SMILES for 2-prop-2-enoxyoctane is C=CCOC(C)CCCCCC.
What is the InChIKey of 2-prop-2-enoxyoctane?
The InChIKey is PWWOKMXYIAKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-6-7-8-9-11(3)12-10-5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 2-prop-2-enoxyoctane?
2-prop-2-enoxyoctane has a molecular weight of 170.30 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyoctane is sourced from PubChem (CID 14970998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).