4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine

C10H17NO — CID 175199770

IUPAC4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
SMILESC=C(C)C1=NC(C)(C)C(C)CO1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)8(3)6-12-9/h8H,1,6H2,2-5H3
InChIKeyVMYVLCMJWSKVOV-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.41
Rot. Bonds1

About 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine

4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine (PubChem CID 175199770) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
PubChem CID175199770
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
SMILESC=C(C)C1=NC(C)(C)C(C)CO1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)8(3)6-12-9/h8H,1,6H2,2-5H3
InChIKeyVMYVLCMJWSKVOV-UHFFFAOYSA-N
XLogP2.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine (CID 175199770) is 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine is C=C(C)C1=NC(C)(C)C(C)CO1.
What is the InChIKey of 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The InChIKey is VMYVLCMJWSKVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)8(3)6-12-9/h8H,1,6H2,2-5H3.
What are the key properties of 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine has a molecular weight of 167.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 175199770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).