tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate

C19H33NO5 — CID 15233228

IUPACtert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(O)C1=CC12OCC(C)(C)CO2
InChIInChI=1S/C19H33NO5/c1-7-8-9-14(20-16(22)25-17(2,3)4)15(21)13-10-19(13)23-11-18(5,6)12-24-19/h10,14-15,21H,7-9,11-12H2,1-6H3,(H,20,22)/t14-,15?/m0/s1
InChIKeyKWUUOIIRSDSBQP-MLCCFXAWSA-N
MW355.48 g/mol
LogP3.14
Rot. Bonds6

About tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate

tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate (PubChem CID 15233228) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate
PubChem CID15233228
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Nametert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(O)C1=CC12OCC(C)(C)CO2
InChIInChI=1S/C19H33NO5/c1-7-8-9-14(20-16(22)25-17(2,3)4)15(21)13-10-19(13)23-11-18(5,6)12-24-19/h10,14-15,21H,7-9,11-12H2,1-6H3,(H,20,22)/t14-,15?/m0/s1
InChIKeyKWUUOIIRSDSBQP-MLCCFXAWSA-N
XLogP3.14
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate;cycloprop-2-en-1-one;2,2-dimethyloxolane
CID 158564992
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(4S,5S)-5-hydroxy-2-methylnonan-4-yl]carbamate
CID 91698916
tert-butyl N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]carbamate
CID 138976837
methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
CID 21016958
tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
CID 118389568
tert-butyl N-decan-5-ylcarbamate
CID 174754300
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate
CID 58981734
tert-butyl N-[(2S,3S)-1-[(2-cyclobutylpyrazol-3-yl)amino]-2-hydroxy-1-oxoheptan-3-yl]carbamate;tert-butyl N-[(2R,3S)-1-[(2-cyclobutylpyrazol-3-yl)amino]-2-hydroxy-1-oxoheptan-3-yl]carbamate
CID 159958741
tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 11752411
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate (CID 15233228) is tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate is CCCC[C@H](NC(=O)OC(C)(C)C)C(O)C1=CC12OCC(C)(C)CO2.
What is the InChIKey of tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate?
The InChIKey is KWUUOIIRSDSBQP-MLCCFXAWSA-N. The full InChI is InChI=1S/C19H33NO5/c1-7-8-9-14(20-16(22)25-17(2,3)4)15(21)13-10-19(13)23-11-18(5,6)12-24-19/h10,14-15,21H,7-9,11-12H2,1-6H3,(H,20,22)/t14-,15?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate has a molecular weight of 355.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-en-2-yl)-1-hydroxyhexan-2-yl]carbamate is sourced from PubChem (CID 15233228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).