tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate

C12H21NO3 — CID 175063132

IUPACtert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate
SMILESCC1=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CO1
InChIInChI=1S/C12H21NO3/c1-8-7-15-9(2)6-10(8)13-11(14)16-12(3,4)5/h6,8,10H,7H2,1-5H3,(H,13,14)/t8-,10-/m0/s1
InChIKeyYMOJXJVEXCSMGI-WPRPVWTQSA-N
MW227.30 g/mol
LogP2.45
Rot. Bonds1

About tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate

tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate (PubChem CID 175063132) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate
PubChem CID175063132
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate
SMILESCC1=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CO1
InChIInChI=1S/C12H21NO3/c1-8-7-15-9(2)6-10(8)13-11(14)16-12(3,4)5/h6,8,10H,7H2,1-5H3,(H,13,14)/t8-,10-/m0/s1
InChIKeyYMOJXJVEXCSMGI-WPRPVWTQSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(6-methylcyclohexa-2,4-dien-1-yl)carbamate
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tert-butyl N-[(2S)-1-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-2-yl]carbamate
CID 126745803
tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
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tert-butyl N-[(Z,3S)-2-methylhept-4-en-3-yl]carbamate
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tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate
CID 11367866
tert-butyl N-[(E,3S)-1-methoxy-4-methylpent-1-en-3-yl]carbamate
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tert-butyl N-[(E)-1-isopropylbut-2-enyl]carbamate
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tert-butyl N-[(E)-1-hydroxy-6-methylhept-4-en-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate (CID 175063132) is tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate is CC1=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CO1.
What is the InChIKey of tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
The InChIKey is YMOJXJVEXCSMGI-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-7-15-9(2)6-10(8)13-11(14)16-12(3,4)5/h6,8,10H,7H2,1-5H3,(H,13,14)/t8-,10-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate?
tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl]carbamate is sourced from PubChem (CID 175063132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).