8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol

C15H16O3 — CID 71426985

IUPAC8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
SMILESOC1(Cc2ccccc2)C=CC2(C=C1)OCCO2
InChIInChI=1S/C15H16O3/c16-14(12-13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15/h1-9,16H,10-12H2
InChIKeyZWHGFRLNQLAJMC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds2

About 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol

8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol (PubChem CID 71426985) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol.

Molecular Properties

Compound Name8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
PubChem CID71426985
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
SMILESOC1(Cc2ccccc2)C=CC2(C=C1)OCCO2
InChIInChI=1S/C15H16O3/c16-14(12-13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15/h1-9,16H,10-12H2
InChIKeyZWHGFRLNQLAJMC-UHFFFAOYSA-N
XLogP1.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 174859791
[(2R)-2-benzyloxiran-2-yl]methanol
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3-benzyloxolan-3-ol
CID 63332039
(2-benzyloxolan-2-yl)methanol
CID 126987678
2-benzyl-1,4-oxazepan-2-ol
CID 91331323
8-pent-3-ynyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
CID 134976140
2-benzyl-1,4-dioxane-2-sulfonic acid
CID 91282898
2-benzyloxolane-2-carboxylic acid
CID 18467992
4-benzyl-4-(chloromethyl)oxane
CID 66033304
2-benzyl-3-ethyloxiran-2-ol
CID 141291266
3-benzylazetidin-3-ol;hydrochloride
CID 67974163
2-benzyloxane-2-carboxylic acid
CID 12030266

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
The IUPAC name of 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol (CID 71426985) is 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol.
What is the SMILES notation for 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
The canonical SMILES for 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol is OC1(Cc2ccccc2)C=CC2(C=C1)OCCO2.
What is the InChIKey of 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
The InChIKey is ZWHGFRLNQLAJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-14(12-13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15/h1-9,16H,10-12H2.
What are the key properties of 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol?
8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol has a molecular weight of 244.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol is sourced from PubChem (CID 71426985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).