[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene

C24H30O — CID 67234615

IUPAC[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
SMILESCC(C=COC=CC(C)CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C24H30O/c1-21(13-15-23-9-5-3-6-10-23)17-19-25-20-18-22(2)14-16-24-11-7-4-8-12-24/h3-12,17-22H,13-16H2,1-2H3
InChIKeyMUDHTNCLAJANAB-UHFFFAOYSA-N
MW334.50 g/mol
LogP6.57
Rot. Bonds10

About [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene

[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene (PubChem CID 67234615) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene.

Molecular Properties

Compound Name[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
PubChem CID67234615
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
SMILESCC(C=COC=CC(C)CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C24H30O/c1-21(13-15-23-9-5-3-6-10-23)17-19-25-20-18-22(2)14-16-24-11-7-4-8-12-24/h3-12,17-22H,13-16H2,1-2H3
InChIKeyMUDHTNCLAJANAB-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-phenylhex-2-enoic acid
CID 70467961
(2-methyl-4-phenylbutylidene)-phosphanylphosphane
CID 89156817
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
CID 134997291
3,4-dimethylhexylbenzene
CID 72602417
(2R)-4-phenylbutane-2-thiol
CID 28974861
(2S)-4-phenylbutan-2-amine
CID 6994564
ethene;3-methylbutylbenzene
CID 145421013
(3-methyl-4-methylperoxybutyl)benzene
CID 88945155
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
trimethyl(2-phenylethyl)phosphanium
CID 10777798
4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid
CID 67565383

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene?
The IUPAC name of [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene (CID 67234615) is [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene.
What is the SMILES notation for [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene?
The canonical SMILES for [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene is CC(C=COC=CC(C)CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene?
The InChIKey is MUDHTNCLAJANAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O/c1-21(13-15-23-9-5-3-6-10-23)17-19-25-20-18-22(2)14-16-24-11-7-4-8-12-24/h3-12,17-22H,13-16H2,1-2H3.
What are the key properties of [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene?
[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene has a molecular weight of 334.50 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene is sourced from PubChem (CID 67234615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).