prop-2-enoxycyclooctane

C11H20O — CID 121216306

IUPACprop-2-enoxycyclooctane
SMILESC=CCOC1CCCCCCC1
InChIInChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,11H,1,3-10H2
InChIKeyLCGLCMPLHFPLTI-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds3

About prop-2-enoxycyclooctane

prop-2-enoxycyclooctane (PubChem CID 121216306) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is prop-2-enoxycyclooctane.

Molecular Properties

Compound Nameprop-2-enoxycyclooctane
PubChem CID121216306
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameprop-2-enoxycyclooctane
SMILESC=CCOC1CCCCCCC1
InChIInChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,11H,1,3-10H2
InChIKeyLCGLCMPLHFPLTI-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyl n-octyl ether
CID 520600
1-(Allyloxy)decane
CID 76802
2-Fluoroprop-2-enoxycyclododecane
CID 10800230
1,10-Diallyloxydecane
CID 11076006
2-Prop-2-enoxyoctane
CID 14970998
3-Nonyloxy-propene
CID 13225457
1,8-Bis(prop-2-enoxy)octane
CID 11492318
3-(Dodecyloxy)-1-propene
CID 22051759
trans-(1R,2R)-1-fluoro-2-prop-2-enoxycyclododecane
CID 10752702
cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane
CID 10776579
Prop-2-enoxycyclododecane
CID 53431145
1-Prop-2-enoxyundecane
CID 11148558

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxycyclooctane?
The IUPAC name of prop-2-enoxycyclooctane (CID 121216306) is prop-2-enoxycyclooctane.
What is the SMILES notation for prop-2-enoxycyclooctane?
The canonical SMILES for prop-2-enoxycyclooctane is C=CCOC1CCCCCCC1.
What is the InChIKey of prop-2-enoxycyclooctane?
The InChIKey is LCGLCMPLHFPLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,11H,1,3-10H2.
What are the key properties of prop-2-enoxycyclooctane?
prop-2-enoxycyclooctane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxycyclooctane is sourced from PubChem (CID 121216306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).