(4R)-4-tert-butyl-6-methylideneoxan-2-one

C10H16O2 — CID 122659085

IUPAC(4R)-4-tert-butyl-6-methylideneoxan-2-one
SMILESC=C1C[C@@H](C(C)(C)C)CC(=O)O1
InChIInChI=1S/C10H16O2/c1-7-5-8(10(2,3)4)6-9(11)12-7/h8H,1,5-6H2,2-4H3/t8-/m1/s1
InChIKeyFONOZTJRYUJKSM-MRVPVSSYSA-N
MW168.24 g/mol
LogP2.50
Rot. Bonds

About (4R)-4-tert-butyl-6-methylideneoxan-2-one

(4R)-4-tert-butyl-6-methylideneoxan-2-one (PubChem CID 122659085) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R)-4-tert-butyl-6-methylideneoxan-2-one.

Molecular Properties

Compound Name(4R)-4-tert-butyl-6-methylideneoxan-2-one
PubChem CID122659085
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R)-4-tert-butyl-6-methylideneoxan-2-one
SMILESC=C1C[C@@H](C(C)(C)C)CC(=O)O1
InChIInChI=1S/C10H16O2/c1-7-5-8(10(2,3)4)6-9(11)12-7/h8H,1,5-6H2,2-4H3/t8-/m1/s1
InChIKeyFONOZTJRYUJKSM-MRVPVSSYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-6-methylideneoxan-2-one?
The IUPAC name of (4R)-4-tert-butyl-6-methylideneoxan-2-one (CID 122659085) is (4R)-4-tert-butyl-6-methylideneoxan-2-one.
What is the SMILES notation for (4R)-4-tert-butyl-6-methylideneoxan-2-one?
The canonical SMILES for (4R)-4-tert-butyl-6-methylideneoxan-2-one is C=C1C[C@@H](C(C)(C)C)CC(=O)O1.
What is the InChIKey of (4R)-4-tert-butyl-6-methylideneoxan-2-one?
The InChIKey is FONOZTJRYUJKSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-8(10(2,3)4)6-9(11)12-7/h8H,1,5-6H2,2-4H3/t8-/m1/s1.
What are the key properties of (4R)-4-tert-butyl-6-methylideneoxan-2-one?
(4R)-4-tert-butyl-6-methylideneoxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-6-methylideneoxan-2-one is sourced from PubChem (CID 122659085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).