methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate

C19H24O5 — CID 7867022

IUPACmethyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)C23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C19H24O5/c1-11-16(17(20)22-2)6-15(24-11)10-23-18(21)19-7-12-3-13(8-19)5-14(4-12)9-19/h6,12-14H,3-5,7-10H2,1-2H3
InChIKeyMATZFVRWHGGZEW-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.63
Rot. Bonds4

About methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate

methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate (PubChem CID 7867022) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate
PubChem CID7867022
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Namemethyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)C23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C19H24O5/c1-11-16(17(20)22-2)6-15(24-11)10-23-18(21)19-7-12-3-13(8-19)5-14(4-12)9-19/h6,12-14H,3-5,7-10H2,1-2H3
InChIKeyMATZFVRWHGGZEW-UHFFFAOYSA-N
XLogP3.63
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235
methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7993888
methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate
CID 7997567
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
methyl 5-[(4-azatricyclo[4.3.1.13,8]undecane-4-carbonylamino)methyl]-2-methylfuran-3-carboxylate
CID 56800041
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
CID 170888841

Frequently Asked Questions

What is the IUPAC name of methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate (CID 7867022) is methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate is COC(=O)c1cc(COC(=O)C23CC4CC(CC(C4)C2)C3)oc1C.
What is the InChIKey of methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate?
The InChIKey is MATZFVRWHGGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-11-16(17(20)22-2)6-15(24-11)10-23-18(21)19-7-12-3-13(8-19)5-14(4-12)9-19/h6,12-14H,3-5,7-10H2,1-2H3.
What are the key properties of methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate?
methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 7867022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).