(2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol

C19H22O — CID 59890889

IUPAC(2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol
SMILESC#CCCCCC#C/C(=C\c1ccccc1CC)CO
InChIInChI=1S/C19H22O/c1-3-5-6-7-8-9-12-17(16-20)15-19-14-11-10-13-18(19)4-2/h1,10-11,13-15,20H,4-8,16H2,2H3/b17-15+
InChIKeyCNRVTIDZIDROKA-BMRADRMJSA-N
MW266.38 g/mol
LogP3.82
Rot. Bonds6

About (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol

(2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol (PubChem CID 59890889) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol.

Molecular Properties

Compound Name(2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol
PubChem CID59890889
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol
SMILESC#CCCCCC#C/C(=C\c1ccccc1CC)CO
InChIInChI=1S/C19H22O/c1-3-5-6-7-8-9-12-17(16-20)15-19-14-11-10-13-18(19)4-2/h1,10-11,13-15,20H,4-8,16H2,2H3/b17-15+
InChIKeyCNRVTIDZIDROKA-BMRADRMJSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-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

(2E)-2-[(2-ethylphenyl)methylidene]-10-iododeca-3,9-diyn-1-ol
CID 59890906
(2E)-2-[(2-ethylphenyl)methylidene]-10-iododeca-3,9-diynal
CID 59890901
1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
CID 171562977
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
(2E)-2-benzylidenenon-8-en-3-yn-1-ol
CID 11042436
2-methylidenedeca-3,9-diyn-1-ol
CID 54577210
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
CID 142194748
3-(2-ethylphenyl)-2-methylprop-2-en-1-amine
CID 79328915
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
CID 103091261
[(E)-2-nitrodec-1-en-3-ynyl]benzene
CID 101446038

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol?
The IUPAC name of (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol (CID 59890889) is (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol.
What is the SMILES notation for (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol?
The canonical SMILES for (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol is C#CCCCCC#C/C(=C\c1ccccc1CC)CO.
What is the InChIKey of (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol?
The InChIKey is CNRVTIDZIDROKA-BMRADRMJSA-N. The full InChI is InChI=1S/C19H22O/c1-3-5-6-7-8-9-12-17(16-20)15-19-14-11-10-13-18(19)4-2/h1,10-11,13-15,20H,4-8,16H2,2H3/b17-15+.
What are the key properties of (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol?
(2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol is sourced from PubChem (CID 59890889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).