(2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene

C17H22 — CID 102494127

IUPAC(2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene
SMILESCC1=CCCC[C@]12C[C@H]2CCc1ccccc1
InChIInChI=1S/C17H22/c1-14-7-5-6-12-17(14)13-16(17)11-10-15-8-3-2-4-9-15/h2-4,7-9,16H,5-6,10-13H2,1H3/t16-,17+/m1/s1
InChIKeyDUMOLFSYOIIPFP-SJORKVTESA-N
MW226.36 g/mol
LogP4.76
Rot. Bonds3

About (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene

(2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene (PubChem CID 102494127) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene.

Molecular Properties

Compound Name(2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene
PubChem CID102494127
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name(2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene
SMILESCC1=CCCC[C@]12C[C@H]2CCc1ccccc1
InChIInChI=1S/C17H22/c1-14-7-5-6-12-17(14)13-16(17)11-10-15-8-3-2-4-9-15/h2-4,7-9,16H,5-6,10-13H2,1H3/t16-,17+/m1/s1
InChIKeyDUMOLFSYOIIPFP-SJORKVTESA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane
CID 101015711
(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene
CID 138964298
[1-isocyano-2-(2-phenylethyl)cyclopropyl]methanol
CID 88562427
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
2-phenylethylcyclooctane
CID 54073487
cis-(1S,3S)-1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 7054124
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
[(1S,2R,4R)-2-(2-phenylethyl)-7-oxabicyclo[2.2.1]heptan-1-yl]methanol
CID 67856591
methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 2750766

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene?
The IUPAC name of (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene (CID 102494127) is (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene.
What is the SMILES notation for (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene?
The canonical SMILES for (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene is CC1=CCCC[C@]12C[C@H]2CCc1ccccc1.
What is the InChIKey of (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene?
The InChIKey is DUMOLFSYOIIPFP-SJORKVTESA-N. The full InChI is InChI=1S/C17H22/c1-14-7-5-6-12-17(14)13-16(17)11-10-15-8-3-2-4-9-15/h2-4,7-9,16H,5-6,10-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene?
(2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene has a molecular weight of 226.36 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-8-methyl-2-(2-phenylethyl)spiro[2.5]oct-7-ene is sourced from PubChem (CID 102494127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).