[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane

C14H24O — CID 11858809

IUPAC[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
SMILESC=C(C)CO[C@H](/C=C\C)C1CCCCC1
InChIInChI=1S/C14H24O/c1-4-8-14(15-11-12(2)3)13-9-6-5-7-10-13/h4,8,13-14H,2,5-7,9-11H2,1,3H3/b8-4-/t14-/m1/s1
InChIKeyCOSVEDVNMCVVCA-SMGNDMQFSA-N
MW208.34 g/mol
LogP4.10
Rot. Bonds5

About [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane

[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane (PubChem CID 11858809) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
PubChem CID11858809
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
SMILESC=C(C)CO[C@H](/C=C\C)C1CCCCC1
InChIInChI=1S/C14H24O/c1-4-8-14(15-11-12(2)3)13-9-6-5-7-10-13/h4,8,13-14H,2,5-7,9-11H2,1,3H3/b8-4-/t14-/m1/s1
InChIKeyCOSVEDVNMCVVCA-SMGNDMQFSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane?
The IUPAC name of [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane (CID 11858809) is [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane.
What is the SMILES notation for [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane?
The canonical SMILES for [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane is C=C(C)CO[C@H](/C=C\C)C1CCCCC1.
What is the InChIKey of [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane?
The InChIKey is COSVEDVNMCVVCA-SMGNDMQFSA-N. The full InChI is InChI=1S/C14H24O/c1-4-8-14(15-11-12(2)3)13-9-6-5-7-10-13/h4,8,13-14H,2,5-7,9-11H2,1,3H3/b8-4-/t14-/m1/s1.
What are the key properties of [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane?
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane has a molecular weight of 208.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane is sourced from PubChem (CID 11858809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).