3-methoxybut-1-enylcyclohexane

C11H20O — CID 156633840

IUPAC3-methoxybut-1-enylcyclohexane
SMILESCOC(C)C=CC1CCCCC1
InChIInChI=1S/C11H20O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyHDGADOUXHNYVFB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 3-methoxybut-1-enylcyclohexane

3-methoxybut-1-enylcyclohexane (PubChem CID 156633840) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methoxybut-1-enylcyclohexane.

Molecular Properties

Compound Name3-methoxybut-1-enylcyclohexane
PubChem CID156633840
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methoxybut-1-enylcyclohexane
SMILESCOC(C)C=CC1CCCCC1
InChIInChI=1S/C11H20O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyHDGADOUXHNYVFB-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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-Cyclohexylbut-3-en-2-ol
CID 11084101
6-Methoxy-1-methyl-4-propan-2-ylcyclohexene
CID 564572
[(E)-3-ethoxyprop-1-enyl]cyclohexane
CID 5358350
1-Methoxy-6,6-dimethyl-cyclohex-2-ene
CID 558570
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran
CID 122471233
6-(3-Ethoxy-1-buten-1-yl)-1,5,5-trimethylcyclohexene
CID 3017992
6-(3-Ethoxybuten-1-yl)-1,5,5-trimethylcyclohexene
CID 6365665
1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane
CID 89186170
3-Ethyl-4-fluoro-6-methoxycyclohexene
CID 123401205
CID 54535995
CID 54535995
4-Cyclohexylbut-3-en-2-yl acetate
CID 72956357

Frequently Asked Questions

What is the IUPAC name of 3-methoxybut-1-enylcyclohexane?
The IUPAC name of 3-methoxybut-1-enylcyclohexane (CID 156633840) is 3-methoxybut-1-enylcyclohexane.
What is the SMILES notation for 3-methoxybut-1-enylcyclohexane?
The canonical SMILES for 3-methoxybut-1-enylcyclohexane is COC(C)C=CC1CCCCC1.
What is the InChIKey of 3-methoxybut-1-enylcyclohexane?
The InChIKey is HDGADOUXHNYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-methoxybut-1-enylcyclohexane?
3-methoxybut-1-enylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybut-1-enylcyclohexane is sourced from PubChem (CID 156633840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).