benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate

C22H24O5 — CID 66761730

IUPACbenzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(OC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C22H24O5/c23-21(24-16-17-4-2-1-3-5-17)18-6-8-19(9-7-18)27-20-10-12-22(13-11-20)25-14-15-26-22/h1-9,20H,10-16H2
InChIKeyNDQONRKTUFLSFA-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.11
Rot. Bonds5

About benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate

benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate (PubChem CID 66761730) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate.

Molecular Properties

Compound Namebenzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate
PubChem CID66761730
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Namebenzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(OC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C22H24O5/c23-21(24-16-17-4-2-1-3-5-17)18-6-8-19(9-7-18)27-20-10-12-22(13-11-20)25-14-15-26-22/h1-9,20H,10-16H2
InChIKeyNDQONRKTUFLSFA-UHFFFAOYSA-N
XLogP4.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxaspiro[4.5]decan-8-ol;phenol;8-phenoxy-1,4-dioxaspiro[4.5]decane
CID 159456083
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
benzyl 4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxybenzoate
CID 157304706
benzyl 4-acetyloxybenzoate
CID 734064
benzyl benzoate
CID 2345
benzyl 4-acetylbenzoate
CID 590101
benzyl 4-trimethylsilyloxybenzoate
CID 528810
methyl (2S)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 58911777
benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 141094427
benzyl 4-(2-butyl-1,3-dioxolan-2-yl)benzoate
CID 59772895
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzyl 4-propan-2-yloxybenzoate
CID 70079883

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate?
The IUPAC name of benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate (CID 66761730) is benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate.
What is the SMILES notation for benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate?
The canonical SMILES for benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate is O=C(OCc1ccccc1)c1ccc(OC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate?
The InChIKey is NDQONRKTUFLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c23-21(24-16-17-4-2-1-3-5-17)18-6-8-19(9-7-18)27-20-10-12-22(13-11-20)25-14-15-26-22/h1-9,20H,10-16H2.
What are the key properties of benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate?
benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate has a molecular weight of 368.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate is sourced from PubChem (CID 66761730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).