(E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol

C13H24O2 — CID 71165719

IUPAC(E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol
SMILESCCC1(CO/C(C)=C/CCCO)CCC1
InChIInChI=1S/C13H24O2/c1-3-13(8-6-9-13)11-15-12(2)7-4-5-10-14/h7,14H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyXCXQWKWXVUCMTE-KPKJPENVSA-N
MW212.33 g/mol
LogP3.26
Rot. Bonds7

About (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol

(E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol (PubChem CID 71165719) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol
PubChem CID71165719
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol
SMILESCCC1(CO/C(C)=C/CCCO)CCC1
InChIInChI=1S/C13H24O2/c1-3-13(8-6-9-13)11-15-12(2)7-4-5-10-14/h7,14H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyXCXQWKWXVUCMTE-KPKJPENVSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol?
The IUPAC name of (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol (CID 71165719) is (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol.
What is the SMILES notation for (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol?
The canonical SMILES for (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol is CCC1(CO/C(C)=C/CCCO)CCC1.
What is the InChIKey of (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol?
The InChIKey is XCXQWKWXVUCMTE-KPKJPENVSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-13(8-6-9-13)11-15-12(2)7-4-5-10-14/h7,14H,3-6,8-11H2,1-2H3/b12-7+.
What are the key properties of (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol?
(E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol has a molecular weight of 212.33 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol is sourced from PubChem (CID 71165719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).