2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]

C18H30O6 — CID 123505465

IUPAC2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]
SMILESC=CCOC1C2OC(C)(C)OC2OC12COC(C)(CCCC)OC2
InChIInChI=1S/C18H30O6/c1-6-8-9-17(5)20-11-18(12-21-17)14(19-10-7-2)13-15(24-18)23-16(3,4)22-13/h7,13-15H,2,6,8-12H2,1,3-5H3
InChIKeyFTVOBXSOGKDITD-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.76
Rot. Bonds6

About 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]

2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole] (PubChem CID 123505465) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole].

Molecular Properties

Compound Name2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]
PubChem CID123505465
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]
SMILESC=CCOC1C2OC(C)(C)OC2OC12COC(C)(CCCC)OC2
InChIInChI=1S/C18H30O6/c1-6-8-9-17(5)20-11-18(12-21-17)14(19-10-7-2)13-15(24-18)23-16(3,4)22-13/h7,13-15H,2,6,8-12H2,1,3-5H3
InChIKeyFTVOBXSOGKDITD-UHFFFAOYSA-N
XLogP2.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]?
The IUPAC name of 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole] (CID 123505465) is 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole].
What is the SMILES notation for 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]?
The canonical SMILES for 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole] is C=CCOC1C2OC(C)(C)OC2OC12COC(C)(CCCC)OC2.
What is the InChIKey of 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]?
The InChIKey is FTVOBXSOGKDITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-6-8-9-17(5)20-11-18(12-21-17)14(19-10-7-2)13-15(24-18)23-16(3,4)22-13/h7,13-15H,2,6,8-12H2,1,3-5H3.
What are the key properties of 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]?
2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole] has a molecular weight of 342.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole] is sourced from PubChem (CID 123505465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).