(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one

C16H22O — CID 10376576

IUPAC(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
SMILESC/C(=C/c1ccccc1)CCC(=O)C(C)(C)C
InChIInChI=1S/C16H22O/c1-13(10-11-15(17)16(2,3)4)12-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/b13-12-
InChIKeyNRSBHWCQIXEUOX-SEYXRHQNSA-N
MW230.35 g/mol
LogP4.49
Rot. Bonds4

About (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one

(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one (PubChem CID 10376576) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one.

Molecular Properties

Compound Name(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
PubChem CID10376576
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
SMILESC/C(=C/c1ccccc1)CCC(=O)C(C)(C)C
InChIInChI=1S/C16H22O/c1-13(10-11-15(17)16(2,3)4)12-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/b13-12-
InChIKeyNRSBHWCQIXEUOX-SEYXRHQNSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-methylidene-6-phenylhex-5-enoic acid
CID 67161387
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
3-methyl-4-phenylbut-3-enamide
CID 23660
trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
CID 102166137
(3E,5E)-3,5-dibenzylidene-2,2,6,6-tetramethylheptan-4-one
CID 139998466
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
2-methyl-1-phenyloct-1-en-4-one
CID 71411118
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
(E)-2,7,7-trimethyl-1-pyridin-2-yloct-1-ene-3,6-dione
CID 58441700

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one?
The IUPAC name of (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one (CID 10376576) is (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one.
What is the SMILES notation for (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one?
The canonical SMILES for (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one is C/C(=C/c1ccccc1)CCC(=O)C(C)(C)C.
What is the InChIKey of (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one?
The InChIKey is NRSBHWCQIXEUOX-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H22O/c1-13(10-11-15(17)16(2,3)4)12-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/b13-12-.
What are the key properties of (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one?
(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one has a molecular weight of 230.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one is sourced from PubChem (CID 10376576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).