1-adamantylmethyl 2-cyclohexyloxyacetate

C19H30O3 — CID 159978550

IUPAC1-adamantylmethyl 2-cyclohexyloxyacetate
SMILESO=C(COC1CCCCC1)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30O3/c20-18(12-21-17-4-2-1-3-5-17)22-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,1-13H2
InChIKeySIXPMPZHSUINBD-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.10
Rot. Bonds5

About 1-adamantylmethyl 2-cyclohexyloxyacetate

1-adamantylmethyl 2-cyclohexyloxyacetate (PubChem CID 159978550) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-adamantylmethyl 2-cyclohexyloxyacetate.

Molecular Properties

Compound Name1-adamantylmethyl 2-cyclohexyloxyacetate
PubChem CID159978550
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name1-adamantylmethyl 2-cyclohexyloxyacetate
SMILESO=C(COC1CCCCC1)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30O3/c20-18(12-21-17-4-2-1-3-5-17)22-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,1-13H2
InChIKeySIXPMPZHSUINBD-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl 2-cyclohexyloxyacetate?
The IUPAC name of 1-adamantylmethyl 2-cyclohexyloxyacetate (CID 159978550) is 1-adamantylmethyl 2-cyclohexyloxyacetate.
What is the SMILES notation for 1-adamantylmethyl 2-cyclohexyloxyacetate?
The canonical SMILES for 1-adamantylmethyl 2-cyclohexyloxyacetate is O=C(COC1CCCCC1)OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethyl 2-cyclohexyloxyacetate?
The InChIKey is SIXPMPZHSUINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c20-18(12-21-17-4-2-1-3-5-17)22-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,1-13H2.
What are the key properties of 1-adamantylmethyl 2-cyclohexyloxyacetate?
1-adamantylmethyl 2-cyclohexyloxyacetate has a molecular weight of 306.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethyl 2-cyclohexyloxyacetate is sourced from PubChem (CID 159978550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).