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

C10H17NO — CID 676822

IUPAC(6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
SMILESC=C(C)C1=NC(C)(C)C[C@H](C)O1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h8H,1,6H2,2-5H3/t8-/m0/s1
InChIKeyNXCYOVQRBLCDPD-QMMMGPOBSA-N
MW167.25 g/mol
LogP2.55
Rot. Bonds1

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

(6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine (PubChem CID 676822) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name(6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
PubChem CID676822
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
SMILESC=C(C)C1=NC(C)(C)C[C@H](C)O1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h8H,1,6H2,2-5H3/t8-/m0/s1
InChIKeyNXCYOVQRBLCDPD-QMMMGPOBSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dihydro-2-isopropenyl-4,4,6-trimethyl-4H-1,3-oxazine
CID 123484
5,6-Dihydro-4,4,6-trimethyl-2-vinyl-4H-1,3-oxazine
CID 90992
4,4-Dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
CID 154085791
4,4,5-Trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
CID 175199770
(6R)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
CID 676823
(6S)-2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 6931650
(6R)-2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 6931651

Frequently Asked Questions

What is the IUPAC name of (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The IUPAC name of (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine (CID 676822) is (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine is C=C(C)C1=NC(C)(C)C[C@H](C)O1.
What is the InChIKey of (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The InChIKey is NXCYOVQRBLCDPD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h8H,1,6H2,2-5H3/t8-/m0/s1.
What are the key properties of (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
(6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine has a molecular weight of 167.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 676822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).