ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

C18H24O4 — CID 59218761

IUPACethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24O4/c1-2-20-16(19)17(14-15-6-4-3-5-7-15)8-10-18(11-9-17)21-12-13-22-18/h3-7H,2,8-14H2,1H3
InChIKeyPKFCBCFBKADPKA-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.10
Rot. Bonds4

About ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 59218761) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID59218761
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Nameethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24O4/c1-2-20-16(19)17(14-15-6-4-3-5-7-15)8-10-18(11-9-17)21-12-13-22-18/h3-7H,2,8-14H2,1H3
InChIKeyPKFCBCFBKADPKA-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
1-[8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 144944742
ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
CID 26411542
ethyl 8-(pyridin-4-yloxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 130300290
methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 131709908
ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395
8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 157424143
ethyl 1-[(3-phenylphenyl)methyl]cyclopent-3-ene-1-carboxylate
CID 171504806

Frequently Asked Questions

What is the IUPAC name of ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 59218761) is ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is PKFCBCFBKADPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-2-20-16(19)17(14-15-6-4-3-5-7-15)8-10-18(11-9-17)21-12-13-22-18/h3-7H,2,8-14H2,1H3.
What are the key properties of ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 59218761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).