(4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane

C13H27NO — CID 59970386

IUPAC(4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane
SMILESCC(C)[C@@H]1OC(C)N(C)[C@@H](C(C)C)[C@@H]1C
InChIInChI=1S/C13H27NO/c1-8(2)12-10(5)13(9(3)4)15-11(6)14(12)7/h8-13H,1-7H3/t10-,11?,12-,13-/m0/s1
InChIKeyNCJMVJMGMCPTHQ-RKLVZMDXSA-N
MW213.36 g/mol
LogP2.98
Rot. Bonds2

About (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane

(4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane (PubChem CID 59970386) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane.

Molecular Properties

Compound Name(4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane
PubChem CID59970386
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane
SMILESCC(C)[C@@H]1OC(C)N(C)[C@@H](C(C)C)[C@@H]1C
InChIInChI=1S/C13H27NO/c1-8(2)12-10(5)13(9(3)4)15-11(6)14(12)7/h8-13H,1-7H3/t10-,11?,12-,13-/m0/s1
InChIKeyNCJMVJMGMCPTHQ-RKLVZMDXSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane?
The IUPAC name of (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane (CID 59970386) is (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane.
What is the SMILES notation for (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane?
The canonical SMILES for (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane is CC(C)[C@@H]1OC(C)N(C)[C@@H](C(C)C)[C@@H]1C.
What is the InChIKey of (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane?
The InChIKey is NCJMVJMGMCPTHQ-RKLVZMDXSA-N. The full InChI is InChI=1S/C13H27NO/c1-8(2)12-10(5)13(9(3)4)15-11(6)14(12)7/h8-13H,1-7H3/t10-,11?,12-,13-/m0/s1.
What are the key properties of (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane?
(4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane has a molecular weight of 213.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-2,3,5-trimethyl-4,6-di(propan-2-yl)-1,3-oxazinane is sourced from PubChem (CID 59970386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).