2-(1-adamantyl)propan-2-yl methyl carbonate

C15H24O3 — CID 118343727

IUPAC2-(1-adamantyl)propan-2-yl methyl carbonate
SMILESCOC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O3/c1-14(2,18-13(16)17-3)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3
InChIKeyYUOQUPLGWHJSRL-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.76
Rot. Bonds2

About 2-(1-adamantyl)propan-2-yl methyl carbonate

2-(1-adamantyl)propan-2-yl methyl carbonate (PubChem CID 118343727) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl methyl carbonate.

Molecular Properties

Compound Name2-(1-adamantyl)propan-2-yl methyl carbonate
PubChem CID118343727
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(1-adamantyl)propan-2-yl methyl carbonate
SMILESCOC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O3/c1-14(2,18-13(16)17-3)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3
InChIKeyYUOQUPLGWHJSRL-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl methyl carbonate?
The IUPAC name of 2-(1-adamantyl)propan-2-yl methyl carbonate (CID 118343727) is 2-(1-adamantyl)propan-2-yl methyl carbonate.
What is the SMILES notation for 2-(1-adamantyl)propan-2-yl methyl carbonate?
The canonical SMILES for 2-(1-adamantyl)propan-2-yl methyl carbonate is COC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)propan-2-yl methyl carbonate?
The InChIKey is YUOQUPLGWHJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-14(2,18-13(16)17-3)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(1-adamantyl)propan-2-yl methyl carbonate?
2-(1-adamantyl)propan-2-yl methyl carbonate has a molecular weight of 252.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propan-2-yl methyl carbonate is sourced from PubChem (CID 118343727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).