(3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate

C17H26O4 — CID 90221556

IUPAC(3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate
SMILESCCC1(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)COC1
InChIInChI=1S/C17H26O4/c1-2-15(9-20-10-15)11-21-14(18)16-4-12-3-13(5-16)7-17(19,6-12)8-16/h12-13,19H,2-11H2,1H3
InChIKeyCNVOJPSRAFKFRB-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.29
Rot. Bonds4

About (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate

(3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate (PubChem CID 90221556) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate
PubChem CID90221556
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate
SMILESCCC1(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)COC1
InChIInChI=1S/C17H26O4/c1-2-15(9-20-10-15)11-21-14(18)16-4-12-3-13(5-16)7-17(19,6-12)8-16/h12-13,19H,2-11H2,1H3
InChIKeyCNVOJPSRAFKFRB-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]-1'-methylspiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate
CID 166037548
(3-amino-3-oxopropyl) 3-hydroxyadamantane-1-carboxylate
CID 18283851
bis[(2-ethyloxetan-2-yl)methyl] adamantane-1,3-dicarboxylate
CID 139405841
[2-(1-adamantylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 18532833
[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 21268393
(2,2-difluoro-2-sulfanylethyl) 3-hydroxyadamantane-1-carboxylate
CID 148762586
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 3-hydroxyadamantane-1-carboxylate
CID 118892950
ethyl 3-methyladamantane-1-carboxylate
CID 91035381
2-[5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carbonyl]oxy-1,1-difluoroethanesulfonic acid
CID 118910564
1-ethoxyethyl 3-hydroxyadamantane-1-carboxylate
CID 22895668
[2-(3-methylbutylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489736
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489777

Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate (CID 90221556) is (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate is CCC1(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate?
The InChIKey is CNVOJPSRAFKFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-2-15(9-20-10-15)11-21-14(18)16-4-12-3-13(5-16)7-17(19,6-12)8-16/h12-13,19H,2-11H2,1H3.
What are the key properties of (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate?
(3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 90221556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).