oxan-2-yl adamantane-1-carboxylate

C16H24O3 — CID 22723774

IUPACoxan-2-yl adamantane-1-carboxylate
SMILESO=C(OC1CCCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24O3/c17-15(19-14-3-1-2-4-18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2
InChIKeyOJKOXWPGEYXMIR-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.27
Rot. Bonds2

About oxan-2-yl adamantane-1-carboxylate

oxan-2-yl adamantane-1-carboxylate (PubChem CID 22723774) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is oxan-2-yl adamantane-1-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl adamantane-1-carboxylate
PubChem CID22723774
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nameoxan-2-yl adamantane-1-carboxylate
SMILESO=C(OC1CCCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24O3/c17-15(19-14-3-1-2-4-18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2
InChIKeyOJKOXWPGEYXMIR-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl adamantane-1-carboxylate?
The IUPAC name of oxan-2-yl adamantane-1-carboxylate (CID 22723774) is oxan-2-yl adamantane-1-carboxylate.
What is the SMILES notation for oxan-2-yl adamantane-1-carboxylate?
The canonical SMILES for oxan-2-yl adamantane-1-carboxylate is O=C(OC1CCCCO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of oxan-2-yl adamantane-1-carboxylate?
The InChIKey is OJKOXWPGEYXMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c17-15(19-14-3-1-2-4-18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2.
What are the key properties of oxan-2-yl adamantane-1-carboxylate?
oxan-2-yl adamantane-1-carboxylate has a molecular weight of 264.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl adamantane-1-carboxylate is sourced from PubChem (CID 22723774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).