6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one

C16H18O3 — CID 10753686

IUPAC6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(CCCCC2OCc2ccccc2)O1
InChIInChI=1S/C16H18O3/c17-15-9-11-16(19-15)10-5-4-8-14(16)18-12-13-6-2-1-3-7-13/h1-3,6-7,9,11,14H,4-5,8,10,12H2
InChIKeyCDECTOGAJNCGQC-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.00
Rot. Bonds3

About 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one

6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 10753686) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID10753686
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(CCCCC2OCc2ccccc2)O1
InChIInChI=1S/C16H18O3/c17-15-9-11-16(19-15)10-5-4-8-14(16)18-12-13-6-2-1-3-7-13/h1-3,6-7,9,11,14H,4-5,8,10,12H2
InChIKeyCDECTOGAJNCGQC-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
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CID 154122310
(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
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(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
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CID 66366074
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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one (CID 10753686) is 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=CC2(CCCCC2OCc2ccccc2)O1.
What is the InChIKey of 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is CDECTOGAJNCGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c17-15-9-11-16(19-15)10-5-4-8-14(16)18-12-13-6-2-1-3-7-13/h1-3,6-7,9,11,14H,4-5,8,10,12H2.
What are the key properties of 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one?
6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 258.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 10753686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).