[2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate

C16H24O3 — CID 58800752

IUPAC[2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(COC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O3/c1-10(2)15(17)19-16(9-18-3)13-5-11-4-12(7-13)8-14(16)6-11/h11-14H,1,4-9H2,2-3H3
InChIKeyTVZHHIPXWVDJQA-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.95
Rot. Bonds4

About [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate

[2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate (PubChem CID 58800752) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate
PubChem CID58800752
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name[2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(COC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O3/c1-10(2)15(17)19-16(9-18-3)13-5-11-4-12(7-13)8-14(16)6-11/h11-14H,1,4-9H2,2-3H3
InChIKeyTVZHHIPXWVDJQA-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate (CID 58800752) is [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(COC)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate?
The InChIKey is TVZHHIPXWVDJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)15(17)19-16(9-18-3)13-5-11-4-12(7-13)8-14(16)6-11/h11-14H,1,4-9H2,2-3H3.
What are the key properties of [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate?
[2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate has a molecular weight of 264.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-2-adamantyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58800752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).