(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene

C11H18O — CID 162403390

IUPAC(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@H]1CC=C(COC)CC1
InChIInChI=1S/C11H18O/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,11H,1,5-8H2,2-3H3/t11-/m0/s1
InChIKeyINEJWGNGBJFKOB-NSHDSACASA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds3

About (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene

(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 162403390) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID162403390
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@H]1CC=C(COC)CC1
InChIInChI=1S/C11H18O/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,11H,1,5-8H2,2-3H3/t11-/m0/s1
InChIKeyINEJWGNGBJFKOB-NSHDSACASA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
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

Rose oxide
CID 27866
Perillyl acetate
CID 61780
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
Myrtenyl methyl ether
CID 15775107
Cyclopentene, 2-(ethoxymethyl)-1-methyl-3-(1-methylethenyl)-
CID 60138535
Methyl piperitol
CID 12284330
Rose oxide, trans-(+)-
CID 1712086
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296
cis-3-Ethoxy-p-menth-1-ene
CID 85842332

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene (CID 162403390) is (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@H]1CC=C(COC)CC1.
What is the InChIKey of (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is INEJWGNGBJFKOB-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,11H,1,5-8H2,2-3H3/t11-/m0/s1.
What are the key properties of (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene?
(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 166.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 162403390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).