[(E)-2-methylhex-1-enoxy]cyclohexane

C13H24O — CID 67939074

IUPAC[(E)-2-methylhex-1-enoxy]cyclohexane
SMILESCCCC/C(C)=C/OC1CCCCC1
InChIInChI=1S/C13H24O/c1-3-4-8-12(2)11-14-13-9-6-5-7-10-13/h11,13H,3-10H2,1-2H3/b12-11+
InChIKeyAOYUOJVDYVIUDB-VAWYXSNFSA-N
MW196.33 g/mol
LogP4.43
Rot. Bonds5

About [(E)-2-methylhex-1-enoxy]cyclohexane

[(E)-2-methylhex-1-enoxy]cyclohexane (PubChem CID 67939074) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is [(E)-2-methylhex-1-enoxy]cyclohexane.

Molecular Properties

Compound Name[(E)-2-methylhex-1-enoxy]cyclohexane
PubChem CID67939074
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name[(E)-2-methylhex-1-enoxy]cyclohexane
SMILESCCCC/C(C)=C/OC1CCCCC1
InChIInChI=1S/C13H24O/c1-3-4-8-12(2)11-14-13-9-6-5-7-10-13/h11,13H,3-10H2,1-2H3/b12-11+
InChIKeyAOYUOJVDYVIUDB-VAWYXSNFSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylhex-1-enoxy]cyclohexane?
The IUPAC name of [(E)-2-methylhex-1-enoxy]cyclohexane (CID 67939074) is [(E)-2-methylhex-1-enoxy]cyclohexane.
What is the SMILES notation for [(E)-2-methylhex-1-enoxy]cyclohexane?
The canonical SMILES for [(E)-2-methylhex-1-enoxy]cyclohexane is CCCC/C(C)=C/OC1CCCCC1.
What is the InChIKey of [(E)-2-methylhex-1-enoxy]cyclohexane?
The InChIKey is AOYUOJVDYVIUDB-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O/c1-3-4-8-12(2)11-14-13-9-6-5-7-10-13/h11,13H,3-10H2,1-2H3/b12-11+.
What are the key properties of [(E)-2-methylhex-1-enoxy]cyclohexane?
[(E)-2-methylhex-1-enoxy]cyclohexane has a molecular weight of 196.33 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylhex-1-enoxy]cyclohexane is sourced from PubChem (CID 67939074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).