3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene

C20H26O — CID 141030772

IUPAC3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene
SMILESC/C=C(C)/C=C/C1=Cc2ccccc2OC1CCCCC
InChIInChI=1S/C20H26O/c1-4-6-7-11-20-18(14-13-16(3)5-2)15-17-10-8-9-12-19(17)21-20/h5,8-10,12-15,20H,4,6-7,11H2,1-3H3/b14-13+,16-5+
InChIKeyMSLKOOSWHDVIRJ-NSIMVMACSA-N
MW282.43 g/mol
LogP5.93
Rot. Bonds6

About 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene

3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene (PubChem CID 141030772) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene.

Molecular Properties

Compound Name3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene
PubChem CID141030772
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene
SMILESC/C=C(C)/C=C/C1=Cc2ccccc2OC1CCCCC
InChIInChI=1S/C20H26O/c1-4-6-7-11-20-18(14-13-16(3)5-2)15-17-10-8-9-12-19(17)21-20/h5,8-10,12-15,20H,4,6-7,11H2,1-3H3/b14-13+,16-5+
InChIKeyMSLKOOSWHDVIRJ-NSIMVMACSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene 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

3-methyl-5-(2-nonyl-2H-chromen-3-yl)penta-2,4-dienoic acid
CID 72957807
2-undecyl-2H-chromene-3-carbaldehyde
CID 18185237
(3E,5E)-4-methyl-6-[2-(nonylamino)-2H-chromen-3-yl]hexa-3,5-dien-2-one
CID 21137847
3-[(E)-prop-1-enyl]-2H-chromen-2-ol
CID 146369233
3-benzyl-2-ethyl-2H-chromene
CID 13045520
4-[(E)-(2-pentyl-1,4-benzodioxin-3-ylidene)methyl]benzonitrile
CID 177466610
(2R)-2-methyl-2H-chromene-3-carbaldehyde
CID 907604
(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine
CID 34309346
6-deuterio-6-pentylbenzo[d][1,3]benzodioxepine
CID 102077062
2-hexyl-4-methyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-2H-furan-5-one
CID 102522094
1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one
CID 163083554
3-[[(E)-3-(2-methyl-2H-chromen-3-yl)prop-2-enoyl]amino]benzoic acid
CID 6126643

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene?
The IUPAC name of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene (CID 141030772) is 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene.
What is the SMILES notation for 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene?
The canonical SMILES for 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene is C/C=C(C)/C=C/C1=Cc2ccccc2OC1CCCCC.
What is the InChIKey of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene?
The InChIKey is MSLKOOSWHDVIRJ-NSIMVMACSA-N. The full InChI is InChI=1S/C20H26O/c1-4-6-7-11-20-18(14-13-16(3)5-2)15-17-10-8-9-12-19(17)21-20/h5,8-10,12-15,20H,4,6-7,11H2,1-3H3/b14-13+,16-5+.
What are the key properties of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene?
3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene has a molecular weight of 282.43 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene is sourced from PubChem (CID 141030772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).