4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid

C18H24O4 — CID 66692629

IUPAC4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid
SMILESO=C(O)CCCC1(c2ccccc2)CCCCC12OCCO2
InChIInChI=1S/C18H24O4/c19-16(20)9-6-11-17(15-7-2-1-3-8-15)10-4-5-12-18(17)21-13-14-22-18/h1-3,7-8H,4-6,9-14H2,(H,19,20)
InChIKeyJJANVACNXACNKR-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.50
Rot. Bonds5

About 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid

4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid (PubChem CID 66692629) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid
PubChem CID66692629
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid
SMILESO=C(O)CCCC1(c2ccccc2)CCCCC12OCCO2
InChIInChI=1S/C18H24O4/c19-16(20)9-6-11-17(15-7-2-1-3-8-15)10-4-5-12-18(17)21-13-14-22-18/h1-3,7-8H,4-6,9-14H2,(H,19,20)
InChIKeyJJANVACNXACNKR-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid
CID 70430703
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
3-(2-phenyloxan-2-yl)propan-1-ol
CID 66685490
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
CID 124573817
benzenethiol;hexanedioic acid
CID 70583090
[(1S,2R,4S,5S)-5-phenylspiro[3,6,8-trioxabicyclo[3.2.1]octane-4,2'-oxane]-2-yl]methanol
CID 102348374
5-[[1-(3-bromophenyl)cyclohexyl]amino]pentanoic acid
CID 122121818
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
3-(2-phenyl-1,3-dithiolan-2-yl)propanoic acid
CID 54309792

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid?
The IUPAC name of 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid (CID 66692629) is 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid.
What is the SMILES notation for 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid?
The canonical SMILES for 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid is O=C(O)CCCC1(c2ccccc2)CCCCC12OCCO2.
What is the InChIKey of 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid?
The InChIKey is JJANVACNXACNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c19-16(20)9-6-11-17(15-7-2-1-3-8-15)10-4-5-12-18(17)21-13-14-22-18/h1-3,7-8H,4-6,9-14H2,(H,19,20).
What are the key properties of 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid?
4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid has a molecular weight of 304.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid is sourced from PubChem (CID 66692629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).