(E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol

C15H22OSe — CID 134905231

IUPAC(E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol
SMILESCC(C)/C=C(/[Se]c1ccccc1)C(O)C(C)C
InChIInChI=1S/C15H22OSe/c1-11(2)10-14(15(16)12(3)4)17-13-8-6-5-7-9-13/h5-12,15-16H,1-4H3/b14-10+
InChIKeyNQZNRIMCGVBHPW-GXDHUFHOSA-N
MW297.30 g/mol
LogP2.57
Rot. Bonds5

About (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol

(E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol (PubChem CID 134905231) has the molecular formula C15H22OSe and a molecular weight of 297.30 g/mol. Its IUPAC name is (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol.

Molecular Properties

Compound Name(E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol
PubChem CID134905231
Molecular FormulaC15H22OSe
Molecular Weight297.30 g/mol
Exact Mass298.08
IUPAC Name(E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol
SMILESCC(C)/C=C(/[Se]c1ccccc1)C(O)C(C)C
InChIInChI=1S/C15H22OSe/c1-11(2)10-14(15(16)12(3)4)17-13-8-6-5-7-9-13/h5-12,15-16H,1-4H3/b14-10+
InChIKeyNQZNRIMCGVBHPW-GXDHUFHOSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Phenylbut-3-en-2-ol
CID 15172
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
(4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol
CID 46938549
1-Phenylselanylpropan-2-ol
CID 11183499
(2R,3E)-4-phenylbut-3-en-2-ol
CID 10986397
(E)-2-methyl-1-phenylpent-1-en-3-ol
CID 13465033
(E)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 60052386
(2S)-4-phenylbut-3-en-2-ol
CID 54548709
(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
CID 16758963
Amyl cinnamyl alcohol
CID 54157030
(4R,5E,7S)-10-benzyl-5,7-dimethylundeca-1,5,10-trien-4-ol
CID 71512321

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol?
The IUPAC name of (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol (CID 134905231) is (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol.
What is the SMILES notation for (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol?
The canonical SMILES for (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol is CC(C)/C=C(/[Se]c1ccccc1)C(O)C(C)C.
What is the InChIKey of (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol?
The InChIKey is NQZNRIMCGVBHPW-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H22OSe/c1-11(2)10-14(15(16)12(3)4)17-13-8-6-5-7-9-13/h5-12,15-16H,1-4H3/b14-10+.
What are the key properties of (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol?
(E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol has a molecular weight of 297.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol is sourced from PubChem (CID 134905231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).