5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]

C16H24O3 — CID 75009615

IUPAC5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]
SMILESC=C(C)C1OOC2(OC1C)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H24O3/c1-9(2)15-10(3)17-16(19-18-15)13-5-11-4-12(7-13)8-14(16)6-11/h10-15H,1,4-8H2,2-3H3
InChIKeyFDVWRLAYGRZRQX-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.45
Rot. Bonds1

About 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]

5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane] (PubChem CID 75009615) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane].

Molecular Properties

Compound Name5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]
PubChem CID75009615
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]
SMILESC=C(C)C1OOC2(OC1C)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H24O3/c1-9(2)15-10(3)17-16(19-18-15)13-5-11-4-12(7-13)8-14(16)6-11/h10-15H,1,4-8H2,2-3H3
InChIKeyFDVWRLAYGRZRQX-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]?
The IUPAC name of 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane] (CID 75009615) is 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane].
What is the SMILES notation for 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]?
The canonical SMILES for 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane] is C=C(C)C1OOC2(OC1C)C1CC3CC(C1)CC2C3.
What is the InChIKey of 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]?
The InChIKey is FDVWRLAYGRZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-9(2)15-10(3)17-16(19-18-15)13-5-11-4-12(7-13)8-14(16)6-11/h10-15H,1,4-8H2,2-3H3.
What are the key properties of 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane]?
5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane] has a molecular weight of 264.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-prop-1-en-2-ylspiro[1,2,4-trioxane-3,2'-adamantane] is sourced from PubChem (CID 75009615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).