(3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol

C10H19NO2 — CID 15335307

IUPAC(3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol
SMILESCC1(CO)CCC(C(C)(C)C)=NO1
InChIInChI=1S/C10H19NO2/c1-9(2,3)8-5-6-10(4,7-12)13-11-8/h12H,5-7H2,1-4H3
InChIKeySJWCTEPWEDOJFK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.95
Rot. Bonds1

About (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol

(3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol (PubChem CID 15335307) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol
PubChem CID15335307
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol
SMILESCC1(CO)CCC(C(C)(C)C)=NO1
InChIInChI=1S/C10H19NO2/c1-9(2,3)8-5-6-10(4,7-12)13-11-8/h12H,5-7H2,1-4H3
InChIKeySJWCTEPWEDOJFK-UHFFFAOYSA-N
XLogP1.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol?
The IUPAC name of (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol (CID 15335307) is (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol.
What is the SMILES notation for (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol?
The canonical SMILES for (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol is CC1(CO)CCC(C(C)(C)C)=NO1.
What is the InChIKey of (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol?
The InChIKey is SJWCTEPWEDOJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)8-5-6-10(4,7-12)13-11-8/h12H,5-7H2,1-4H3.
What are the key properties of (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol?
(3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol has a molecular weight of 185.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-6-methyl-4,5-dihydrooxazin-6-yl)methanol is sourced from PubChem (CID 15335307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).