methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate

C18H24O5 — CID 131709908

IUPACmethyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1(Cc2cccc(OC)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24O5/c1-20-15-5-3-4-14(12-15)13-17(16(19)21-2)6-8-18(9-7-17)22-10-11-23-18/h3-5,12H,6-11,13H2,1-2H3
InChIKeyMYCSINIXDGZNTG-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.71
Rot. Bonds4

About methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate

methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 131709908) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID131709908
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Namemethyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1(Cc2cccc(OC)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24O5/c1-20-15-5-3-4-14(12-15)13-17(16(19)21-2)6-8-18(9-7-17)22-10-11-23-18/h3-5,12H,6-11,13H2,1-2H3
InChIKeyMYCSINIXDGZNTG-UHFFFAOYSA-N
XLogP2.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one
CID 110413029
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351353
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109172902
1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425480
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 131709908) is methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate is COC(=O)C1(Cc2cccc(OC)c2)CCC2(CC1)OCCO2.
What is the InChIKey of methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is MYCSINIXDGZNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-20-15-5-3-4-14(12-15)13-17(16(19)21-2)6-8-18(9-7-17)22-10-11-23-18/h3-5,12H,6-11,13H2,1-2H3.
What are the key properties of methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate?
methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 320.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 131709908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).