1-(methoxymethyl)-4-propan-2-ylcyclohexene

C11H20O — CID 21357270

IUPAC1-(methoxymethyl)-4-propan-2-ylcyclohexene
SMILESCOCC1=CCC(C(C)C)CC1
InChIInChI=1S/C11H20O/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,9,11H,5-8H2,1-3H3
InChIKeyHKANBSTZHYYURT-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.02
Rot. Bonds3

About 1-(methoxymethyl)-4-propan-2-ylcyclohexene

1-(methoxymethyl)-4-propan-2-ylcyclohexene (PubChem CID 21357270) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-propan-2-ylcyclohexene
PubChem CID21357270
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(methoxymethyl)-4-propan-2-ylcyclohexene
SMILESCOCC1=CCC(C(C)C)CC1
InChIInChI=1S/C11H20O/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,9,11H,5-8H2,1-3H3
InChIKeyHKANBSTZHYYURT-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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 1-(methoxymethyl)-4-propan-2-ylcyclohexene?
The IUPAC name of 1-(methoxymethyl)-4-propan-2-ylcyclohexene (CID 21357270) is 1-(methoxymethyl)-4-propan-2-ylcyclohexene.
What is the SMILES notation for 1-(methoxymethyl)-4-propan-2-ylcyclohexene?
The canonical SMILES for 1-(methoxymethyl)-4-propan-2-ylcyclohexene is COCC1=CCC(C(C)C)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-propan-2-ylcyclohexene?
The InChIKey is HKANBSTZHYYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,9,11H,5-8H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-4-propan-2-ylcyclohexene?
1-(methoxymethyl)-4-propan-2-ylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-propan-2-ylcyclohexene is sourced from PubChem (CID 21357270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).