3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane

C12H22O — CID 134851761

IUPAC3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane
SMILESCO/C=C(\C)C1CCCC(C)(C)C1
InChIInChI=1S/C12H22O/c1-10(9-13-4)11-6-5-7-12(2,3)8-11/h9,11H,5-8H2,1-4H3/b10-9+
InChIKeyFSVILHXHPNVROV-MDZDMXLPSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds2

About 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane

3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane (PubChem CID 134851761) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane
PubChem CID134851761
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane
SMILESCO/C=C(\C)C1CCCC(C)(C)C1
InChIInChI=1S/C12H22O/c1-10(9-13-4)11-6-5-7-12(2,3)8-11/h9,11H,5-8H2,1-4H3/b10-9+
InChIKeyFSVILHXHPNVROV-MDZDMXLPSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.75
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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Related Compounds

Cyclohexane, 1-(1,1-dimethylethyl)-4-(methoxymethylene)-
CID 10877774
1-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
4-Methoxymethylene-1,1-dimethyl-cyclohexane
CID 58908667
[4-(Methoxymethylidene)cyclohexyl]cycloheptane
CID 118360343
(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane
CID 12838344
(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane
CID 134896278
(6E)-6-(methoxymethylidene)-3,4-dimethylundecane
CID 135036682
1-Ethoxy-2,3,5,5-tetramethylhex-1-ene
CID 170842835
4-Isopropyl-3-methoxymethylene-1,1-dimethyl-cyclohexane
CID 5373369
(1E)-1-(methoxymethylidene)-2-methylcyclohexane
CID 12838342
(1Z)-1-(methoxymethylidene)-2-methylcyclohexane
CID 12838343
1-Ethyl-4-(methoxymethylidene)cyclohexane
CID 18344115

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane?
The IUPAC name of 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane (CID 134851761) is 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane.
What is the SMILES notation for 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane?
The canonical SMILES for 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane is CO/C=C(\C)C1CCCC(C)(C)C1.
What is the InChIKey of 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane?
The InChIKey is FSVILHXHPNVROV-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22O/c1-10(9-13-4)11-6-5-7-12(2,3)8-11/h9,11H,5-8H2,1-4H3/b10-9+.
What are the key properties of 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane?
3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane is sourced from PubChem (CID 134851761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).