(5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one

C18H20O2 — CID 102132296

IUPAC(5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
SMILESC#CC[C@H]1CCCO[C@]12CC(c1ccccc1)CC2=O
InChIInChI=1S/C18H20O2/c1-2-7-16-10-6-11-20-18(16)13-15(12-17(18)19)14-8-4-3-5-9-14/h1,3-5,8-9,15-16H,6-7,10-13H2/t15?,16-,18+/m0/s1
InChIKeyAGMCTDQTLAVTTG-BSRYDQRCSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds2

About (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one

(5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 102132296) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
PubChem CID102132296
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
SMILESC#CC[C@H]1CCCO[C@]12CC(c1ccccc1)CC2=O
InChIInChI=1S/C18H20O2/c1-2-7-16-10-6-11-20-18(16)13-15(12-17(18)19)14-8-4-3-5-9-14/h1,3-5,8-9,15-16H,6-7,10-13H2/t15?,16-,18+/m0/s1
InChIKeyAGMCTDQTLAVTTG-BSRYDQRCSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Cyclopentyl-6-(4-phenylbut-3-ynyl)tetrahydropyran-2,4-dione
CID 16074351
(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione
CID 134951866
(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one
CID 134957796
cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one
CID 135054875
1-[5-[5-(4-Fluorophenyl)octyl]-2-propan-2-yloxan-2-yl]ethanone
CID 145191902
2-[(9R)-9-phenyl-6-oxaspiro[4.5]decan-9-yl]acetaldehyde
CID 88949969
1-(3-Oxatricyclo[5.5.5.22,5]nonadecan-4-yl)-3-phenylhexan-1-one
CID 91227164
2-(9-Phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 129106264
6-Cyclopentyl-6-[2-(3-prop-2-ynylphenyl)ethyl]oxane-2,4-dione
CID 142935318
1-[5-[(9Z)-4-bicyclo[9.4.0]pentadeca-1(15),9,11,13-tetraenyl]oxan-2-yl]ethanone
CID 159860259
6-Cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione
CID 10125515
2-Ethoxy-5-methyl-3-(2-phenylethyl)cyclopentan-1-one
CID 21597125

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one (CID 102132296) is (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one is C#CC[C@H]1CCCO[C@]12CC(c1ccccc1)CC2=O.
What is the InChIKey of (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is AGMCTDQTLAVTTG-BSRYDQRCSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-7-16-10-6-11-20-18(16)13-15(12-17(18)19)14-8-4-3-5-9-14/h1,3-5,8-9,15-16H,6-7,10-13H2/t15?,16-,18+/m0/s1.
What are the key properties of (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
(5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one has a molecular weight of 268.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 102132296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).