1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane

C18H32O3 — CID 87660260

IUPAC1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane
SMILESCCC(COC=C(C)C)(COC=C(C)C)COC=C(C)C
InChIInChI=1S/C18H32O3/c1-8-18(12-19-9-15(2)3,13-20-10-16(4)5)14-21-11-17(6)7/h9-11H,8,12-14H2,1-7H3
InChIKeyMLMPNFNBDZDRLE-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.20
Rot. Bonds10

About 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane

1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane (PubChem CID 87660260) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane.

Molecular Properties

Compound Name1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane
PubChem CID87660260
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane
SMILESCCC(COC=C(C)C)(COC=C(C)C)COC=C(C)C
InChIInChI=1S/C18H32O3/c1-8-18(12-19-9-15(2)3,13-20-10-16(4)5)14-21-11-17(6)7/h9-11H,8,12-14H2,1-7H3
InChIKeyMLMPNFNBDZDRLE-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane?
The IUPAC name of 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane (CID 87660260) is 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane.
What is the SMILES notation for 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane?
The canonical SMILES for 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane is CCC(COC=C(C)C)(COC=C(C)C)COC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane?
The InChIKey is MLMPNFNBDZDRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-8-18(12-19-9-15(2)3,13-20-10-16(4)5)14-21-11-17(6)7/h9-11H,8,12-14H2,1-7H3.
What are the key properties of 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane?
1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane has a molecular weight of 296.45 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enoxy)-2,2-bis(2-methylprop-1-enoxymethyl)butane is sourced from PubChem (CID 87660260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).