methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate

C18H24O5 — CID 59129236

IUPACmethyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OCCC(=O)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H24O5/c1-17(2,3)23-15(19)9-12-22-14-7-5-13(6-8-14)18(10-11-18)16(20)21-4/h5-8H,9-12H2,1-4H3
InChIKeyGAMVAKDCTAPYGG-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.00
Rot. Bonds6

About methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate

methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate (PubChem CID 59129236) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate
PubChem CID59129236
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Namemethyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OCCC(=O)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H24O5/c1-17(2,3)23-15(19)9-12-22-14-7-5-13(6-8-14)18(10-11-18)16(20)21-4/h5-8H,9-12H2,1-4H3
InChIKeyGAMVAKDCTAPYGG-UHFFFAOYSA-N
XLogP3.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]cyclopropane-1-carboxylate
CID 156541655
tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate
CID 59636847
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
tert-butyl 3-[4-(3-oxobutyl)phenoxy]propanoate
CID 116659062
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
methyl 4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexoxy]benzoate
CID 158222033
tert-butyl 1-(4-methoxyphenyl)cyclopropane-1-carboperoxoate
CID 10539552
tert-butyl 4-(4-cyclopropylphenoxy)butanoate
CID 163225140
tert-butyl 5-(4-butoxyphenoxy)-4-oxopentanoate
CID 58498087
tert-butyl 3-(3-tert-butylphenoxy)propanoate
CID 116659158
tert-butyl 3-(4-chloro-3-fluorophenoxy)propanoate
CID 116659260

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate (CID 59129236) is methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(OCCC(=O)OC(C)(C)C)cc2)CC1.
What is the InChIKey of methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate?
The InChIKey is GAMVAKDCTAPYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-17(2,3)23-15(19)9-12-22-14-7-5-13(6-8-14)18(10-11-18)16(20)21-4/h5-8H,9-12H2,1-4H3.
What are the key properties of methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate?
methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59129236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).