2-adamantylmethoxymethyl 2-methylpropanoate

C16H26O3 — CID 89069790

IUPAC2-adamantylmethoxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26O3/c1-10(2)16(17)19-9-18-8-15-13-4-11-3-12(6-13)7-14(15)5-11/h10-15H,3-9H2,1-2H3
InChIKeyLFELJERECGRDMX-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.23
Rot. Bonds5

About 2-adamantylmethoxymethyl 2-methylpropanoate

2-adamantylmethoxymethyl 2-methylpropanoate (PubChem CID 89069790) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-adamantylmethoxymethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-adamantylmethoxymethyl 2-methylpropanoate
PubChem CID89069790
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-adamantylmethoxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26O3/c1-10(2)16(17)19-9-18-8-15-13-4-11-3-12(6-13)7-14(15)5-11/h10-15H,3-9H2,1-2H3
InChIKeyLFELJERECGRDMX-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-adamantylmethoxymethyl 2-methylpropanoate?
The IUPAC name of 2-adamantylmethoxymethyl 2-methylpropanoate (CID 89069790) is 2-adamantylmethoxymethyl 2-methylpropanoate.
What is the SMILES notation for 2-adamantylmethoxymethyl 2-methylpropanoate?
The canonical SMILES for 2-adamantylmethoxymethyl 2-methylpropanoate is CC(C)C(=O)OCOCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantylmethoxymethyl 2-methylpropanoate?
The InChIKey is LFELJERECGRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-10(2)16(17)19-9-18-8-15-13-4-11-3-12(6-13)7-14(15)5-11/h10-15H,3-9H2,1-2H3.
What are the key properties of 2-adamantylmethoxymethyl 2-methylpropanoate?
2-adamantylmethoxymethyl 2-methylpropanoate has a molecular weight of 266.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantylmethoxymethyl 2-methylpropanoate is sourced from PubChem (CID 89069790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).