1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane

C15H28O2 — CID 143374456

IUPAC1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane
SMILESC=C(COCCCC)OCC1CCCC(C)C1
InChIInChI=1S/C15H28O2/c1-4-5-9-16-11-14(3)17-12-15-8-6-7-13(2)10-15/h13,15H,3-12H2,1-2H3
InChIKeyMURHZRUGIWGERP-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.16
Rot. Bonds8

About 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane

1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane (PubChem CID 143374456) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane
PubChem CID143374456
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane
SMILESC=C(COCCCC)OCC1CCCC(C)C1
InChIInChI=1S/C15H28O2/c1-4-5-9-16-11-14(3)17-12-15-8-6-7-13(2)10-15/h13,15H,3-12H2,1-2H3
InChIKeyMURHZRUGIWGERP-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Cyclohexylmethoxy)prop-2-enoxymethyl]oxirane
CID 118870811
1-Prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
CID 139896285
1-(3-Butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane;ethane
CID 143374455

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane?
The IUPAC name of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane (CID 143374456) is 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane.
What is the SMILES notation for 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane?
The canonical SMILES for 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane is C=C(COCCCC)OCC1CCCC(C)C1.
What is the InChIKey of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane?
The InChIKey is MURHZRUGIWGERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-5-9-16-11-14(3)17-12-15-8-6-7-13(2)10-15/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane?
1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane has a molecular weight of 240.39 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane is sourced from PubChem (CID 143374456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).