(1E,5R)-5-propan-2-yloxycyclooctene

C11H20O — CID 177100043

IUPAC(1E,5R)-5-propan-2-yloxycyclooctene
SMILESCC(C)O[C@H]1CC/C=C\CCC1
InChIInChI=1S/C11H20O/c1-10(2)12-11-8-6-4-3-5-7-9-11/h3-4,10-11H,5-9H2,1-2H3/b4-3-/t11-/m0/s1
InChIKeyXSLOYKHVUHTNKN-BYCRGOAPSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds2

About (1E,5R)-5-propan-2-yloxycyclooctene

(1E,5R)-5-propan-2-yloxycyclooctene (PubChem CID 177100043) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1E,5R)-5-propan-2-yloxycyclooctene.

Molecular Properties

Compound Name(1E,5R)-5-propan-2-yloxycyclooctene
PubChem CID177100043
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1E,5R)-5-propan-2-yloxycyclooctene
SMILESCC(C)O[C@H]1CC/C=C\CCC1
InChIInChI=1S/C11H20O/c1-10(2)12-11-8-6-4-3-5-7-9-11/h3-4,10-11H,5-9H2,1-2H3/b4-3-/t11-/m0/s1
InChIKeyXSLOYKHVUHTNKN-BYCRGOAPSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

4-propan-2-yloxycyclohexene
CID 20567917
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
9-propan-2-ylcyclododeca-1,5-diene
CID 54254739
[(4Z)-cyclooct-4-en-1-yl]oxy-trimethylsilane
CID 18541566
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 123478712
4-(3-methylbutan-2-yloxy)cyclohexene
CID 89432419
5-propoxycyclooctene
CID 77387390
4-(3,3-dimethylbutan-2-yloxy)cyclohexene
CID 19379319
2-cyclooct-4-en-1-ylpropanal
CID 54287694
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810

Frequently Asked Questions

What is the IUPAC name of (1E,5R)-5-propan-2-yloxycyclooctene?
The IUPAC name of (1E,5R)-5-propan-2-yloxycyclooctene (CID 177100043) is (1E,5R)-5-propan-2-yloxycyclooctene.
What is the SMILES notation for (1E,5R)-5-propan-2-yloxycyclooctene?
The canonical SMILES for (1E,5R)-5-propan-2-yloxycyclooctene is CC(C)O[C@H]1CC/C=C\CCC1.
What is the InChIKey of (1E,5R)-5-propan-2-yloxycyclooctene?
The InChIKey is XSLOYKHVUHTNKN-BYCRGOAPSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)12-11-8-6-4-3-5-7-9-11/h3-4,10-11H,5-9H2,1-2H3/b4-3-/t11-/m0/s1.
What are the key properties of (1E,5R)-5-propan-2-yloxycyclooctene?
(1E,5R)-5-propan-2-yloxycyclooctene has a molecular weight of 168.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5R)-5-propan-2-yloxycyclooctene is sourced from PubChem (CID 177100043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).