(2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol

C17H22O3 — CID 147558547

IUPAC(2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol
SMILESOC/C=C1\OC2(CCCCC2)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H22O3/c18-12-9-15-16(13-14-7-3-1-4-8-14)20-17(19-15)10-5-2-6-11-17/h1,3-4,7-9,16,18H,2,5-6,10-13H2/b15-9-/t16-/m1/s1
InChIKeyFSDZSXKWRZURFP-QOBZYLRHSA-N
MW274.36 g/mol
LogP3.18
Rot. Bonds3

About (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol

(2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol (PubChem CID 147558547) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol
PubChem CID147558547
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol
SMILESOC/C=C1\OC2(CCCCC2)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H22O3/c18-12-9-15-16(13-14-7-3-1-4-8-14)20-17(19-15)10-5-2-6-11-17/h1,3-4,7-9,16,18H,2,5-6,10-13H2/b15-9-/t16-/m1/s1
InChIKeyFSDZSXKWRZURFP-QOBZYLRHSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol with MolForge

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Related Compounds

2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol
CID 123822075
2-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.4]nonan-3-one
CID 117060691
[(2R,3R)-2-benzyl-1-oxaspiro[4.4]nonan-3-yl]methanol
CID 174021702
[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
CID 123409924
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
2-spiro[4H-1,3-benzodioxine-2,1'-cyclohexane]-4-ylethylsulfamic acid
CID 134279612
cyclopentane;phenylmethanol;titanium
CID 23229026
[(4S)-spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-4-yl]methyl hydrogen sulfite
CID 134279625
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
CID 22856131
3-[(3-hydroxyphenyl)methyl]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 17129620
1-(2-ethenyl-1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylmethoxyethanol
CID 163289119
2-benzyl-1-oxa-3-azaspiro[4.4]nonane
CID 82184395

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol?
The IUPAC name of (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol (CID 147558547) is (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol?
The canonical SMILES for (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol is OC/C=C1\OC2(CCCCC2)O[C@@H]1Cc1ccccc1.
What is the InChIKey of (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol?
The InChIKey is FSDZSXKWRZURFP-QOBZYLRHSA-N. The full InChI is InChI=1S/C17H22O3/c18-12-9-15-16(13-14-7-3-1-4-8-14)20-17(19-15)10-5-2-6-11-17/h1,3-4,7-9,16,18H,2,5-6,10-13H2/b15-9-/t16-/m1/s1.
What are the key properties of (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol?
(2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol has a molecular weight of 274.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2R)-2-benzyl-1,4-dioxaspiro[4.5]decan-3-ylidene]ethanol is sourced from PubChem (CID 147558547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).