1-(butoxymethyl)-4-methylcyclohexane

C12H24O — CID 21137231

IUPAC1-(butoxymethyl)-4-methylcyclohexane
SMILESCCCCOCC1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyYAVKKGIHCYWYIR-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds5

About 1-(butoxymethyl)-4-methylcyclohexane

1-(butoxymethyl)-4-methylcyclohexane (PubChem CID 21137231) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(butoxymethyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(butoxymethyl)-4-methylcyclohexane
PubChem CID21137231
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(butoxymethyl)-4-methylcyclohexane
SMILESCCCCOCC1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyYAVKKGIHCYWYIR-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)-4-methylcyclohexane?
The IUPAC name of 1-(butoxymethyl)-4-methylcyclohexane (CID 21137231) is 1-(butoxymethyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(butoxymethyl)-4-methylcyclohexane?
The canonical SMILES for 1-(butoxymethyl)-4-methylcyclohexane is CCCCOCC1CCC(C)CC1.
What is the InChIKey of 1-(butoxymethyl)-4-methylcyclohexane?
The InChIKey is YAVKKGIHCYWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(butoxymethyl)-4-methylcyclohexane?
1-(butoxymethyl)-4-methylcyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-4-methylcyclohexane is sourced from PubChem (CID 21137231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).