1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol

C16H26O3 — CID 147984353

IUPAC1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OC(C)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26O3/c1-9(2)16(17)19-10(3)18-15-13-5-11-4-12(7-13)8-14(15)6-11/h10-17H,1,4-8H2,2-3H3
InChIKeyITVNKSAJTUFFGK-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.08
Rot. Bonds5

About 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol

1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol (PubChem CID 147984353) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol
PubChem CID147984353
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OC(C)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26O3/c1-9(2)16(17)19-10(3)18-15-13-5-11-4-12(7-13)8-14(15)6-11/h10-17H,1,4-8H2,2-3H3
InChIKeyITVNKSAJTUFFGK-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol (CID 147984353) is 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol is C=C(C)C(O)OC(C)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol?
The InChIKey is ITVNKSAJTUFFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-9(2)16(17)19-10(3)18-15-13-5-11-4-12(7-13)8-14(15)6-11/h10-17H,1,4-8H2,2-3H3.
What are the key properties of 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol?
1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-adamantyloxy)ethoxy]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 147984353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).