(4R)-2,2,4,5-tetramethylhex-5-en-3-one

C10H18O — CID 11321072

IUPAC(4R)-2,2,4,5-tetramethylhex-5-en-3-one
SMILESC=C(C)[C@@H](C)C(=O)C(C)(C)C
InChIInChI=1S/C10H18O/c1-7(2)8(3)9(11)10(4,5)6/h8H,1H2,2-6H3/t8-/m1/s1
InChIKeyBBWANVSATBDGOP-MRVPVSSYSA-N
MW154.25 g/mol
LogP2.81
Rot. Bonds2

About (4R)-2,2,4,5-tetramethylhex-5-en-3-one

(4R)-2,2,4,5-tetramethylhex-5-en-3-one (PubChem CID 11321072) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4R)-2,2,4,5-tetramethylhex-5-en-3-one.

Molecular Properties

Compound Name(4R)-2,2,4,5-tetramethylhex-5-en-3-one
PubChem CID11321072
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4R)-2,2,4,5-tetramethylhex-5-en-3-one
SMILESC=C(C)[C@@H](C)C(=O)C(C)(C)C
InChIInChI=1S/C10H18O/c1-7(2)8(3)9(11)10(4,5)6/h8H,1H2,2-6H3/t8-/m1/s1
InChIKeyBBWANVSATBDGOP-MRVPVSSYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2,4,5-tetramethylhex-5-en-3-one?
The IUPAC name of (4R)-2,2,4,5-tetramethylhex-5-en-3-one (CID 11321072) is (4R)-2,2,4,5-tetramethylhex-5-en-3-one.
What is the SMILES notation for (4R)-2,2,4,5-tetramethylhex-5-en-3-one?
The canonical SMILES for (4R)-2,2,4,5-tetramethylhex-5-en-3-one is C=C(C)[C@@H](C)C(=O)C(C)(C)C.
What is the InChIKey of (4R)-2,2,4,5-tetramethylhex-5-en-3-one?
The InChIKey is BBWANVSATBDGOP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)8(3)9(11)10(4,5)6/h8H,1H2,2-6H3/t8-/m1/s1.
What are the key properties of (4R)-2,2,4,5-tetramethylhex-5-en-3-one?
(4R)-2,2,4,5-tetramethylhex-5-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2,4,5-tetramethylhex-5-en-3-one is sourced from PubChem (CID 11321072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).