(3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate

C16H24O5 — CID 70808314

IUPAC(3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate
SMILESO=C(OCC1COC1)OCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H24O5/c17-14(20-8-13-6-19-7-13)21-10-15-2-11-1-12(3-15)5-16(18,4-11)9-15/h11-13,18H,1-10H2
InChIKeyBBNVSTCRLMUDCQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.12
Rot. Bonds4

About (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate

(3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate (PubChem CID 70808314) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate.

Molecular Properties

Compound Name(3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate
PubChem CID70808314
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name(3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate
SMILESO=C(OCC1COC1)OCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H24O5/c17-14(20-8-13-6-19-7-13)21-10-15-2-11-1-12(3-15)5-16(18,4-11)9-15/h11-13,18H,1-10H2
InChIKeyBBNVSTCRLMUDCQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate?
The IUPAC name of (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate (CID 70808314) is (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate.
What is the SMILES notation for (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate?
The canonical SMILES for (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate is O=C(OCC1COC1)OCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate?
The InChIKey is BBNVSTCRLMUDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c17-14(20-8-13-6-19-7-13)21-10-15-2-11-1-12(3-15)5-16(18,4-11)9-15/h11-13,18H,1-10H2.
What are the key properties of (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate?
(3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate has a molecular weight of 296.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate is sourced from PubChem (CID 70808314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).