(E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol

C13H18OSe — CID 102331525

IUPAC(E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol
SMILESC[Se]C(c1ccccc1)C(C)/C=C/CO
InChIInChI=1S/C13H18OSe/c1-11(7-6-10-14)13(15-2)12-8-4-3-5-9-12/h3-9,11,13-14H,10H2,1-2H3/b7-6+
InChIKeyDPNFFKPTLVOFLN-VOTSOKGWSA-N
MW269.25 g/mol
LogP2.66
Rot. Bonds5

About (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol

(E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol (PubChem CID 102331525) has the molecular formula C13H18OSe and a molecular weight of 269.25 g/mol. Its IUPAC name is (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol
PubChem CID102331525
Molecular FormulaC13H18OSe
Molecular Weight269.25 g/mol
Exact Mass270.05
IUPAC Name(E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol
SMILESC[Se]C(c1ccccc1)C(C)/C=C/CO
InChIInChI=1S/C13H18OSe/c1-11(7-6-10-14)13(15-2)12-8-4-3-5-9-12/h3-9,11,13-14H,10H2,1-2H3/b7-6+
InChIKeyDPNFFKPTLVOFLN-VOTSOKGWSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol 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

(Z)-4-phenylpent-2-en-1-ol
CID 10725679
CID 101008835
CID 101008835
(2E)-4-phenylhexa-2,5-dien-1-ol
CID 15767643
(E,4R,5S)-4-methyl-7-phenylmethoxyhept-2-ene-1,5-diol
CID 11770840
(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol
CID 5368633
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
(Z)-4-(benzhydrylamino)but-2-en-1-ol
CID 139636767
1-phenoxybut-2-ene-1,4-diol
CID 57216161

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol?
The IUPAC name of (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol (CID 102331525) is (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol.
What is the SMILES notation for (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol?
The canonical SMILES for (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol is C[Se]C(c1ccccc1)C(C)/C=C/CO.
What is the InChIKey of (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol?
The InChIKey is DPNFFKPTLVOFLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H18OSe/c1-11(7-6-10-14)13(15-2)12-8-4-3-5-9-12/h3-9,11,13-14H,10H2,1-2H3/b7-6+.
What are the key properties of (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol?
(E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol has a molecular weight of 269.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol is sourced from PubChem (CID 102331525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).