[(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rose oxide
CID 27866
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Rose oxide, cis-(-)-
CID 1712087
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Rose oxide, trans-(-)-
CID 7093102
Rose oxide, cis-(+)-
CID 6432154
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
Methyl piperitol
CID 12284330
Rose oxide, trans-(+)-
CID 1712086
(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633

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).