1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene

C30H38O — CID 70365536

IUPAC1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene
SMILESC=CC(C)(CCc1ccc(C(=C)C)cc1)OC(C)(C=C)CCc1ccc(C(=C)C)cc1
InChIInChI=1S/C30H38O/c1-9-29(7,21-19-25-11-15-27(16-12-25)23(3)4)31-30(8,10-2)22-20-26-13-17-28(18-14-26)24(5)6/h9-18H,1-3,5,19-22H2,4,6-8H3
InChIKeyFNFIHIRYDNQVGF-UHFFFAOYSA-N
MW414.63 g/mol
LogP8.22
Rot. Bonds12

About 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene

1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene (PubChem CID 70365536) has the molecular formula C30H38O and a molecular weight of 414.63 g/mol. Its IUPAC name is 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene
PubChem CID70365536
Molecular FormulaC30H38O
Molecular Weight414.63 g/mol
Exact Mass414.29
IUPAC Name1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene
SMILESC=CC(C)(CCc1ccc(C(=C)C)cc1)OC(C)(C=C)CCc1ccc(C(=C)C)cc1
InChIInChI=1S/C30H38O/c1-9-29(7,21-19-25-11-15-27(16-12-25)23(3)4)31-30(8,10-2)22-20-26-13-17-28(18-14-26)24(5)6/h9-18H,1-3,5,19-22H2,4,6-8H3
InChIKeyFNFIHIRYDNQVGF-UHFFFAOYSA-N
XLogP8.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene (CID 70365536) is 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene is C=CC(C)(CCc1ccc(C(=C)C)cc1)OC(C)(C=C)CCc1ccc(C(=C)C)cc1.
What is the InChIKey of 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene?
The InChIKey is FNFIHIRYDNQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O/c1-9-29(7,21-19-25-11-15-27(16-12-25)23(3)4)31-30(8,10-2)22-20-26-13-17-28(18-14-26)24(5)6/h9-18H,1-3,5,19-22H2,4,6-8H3.
What are the key properties of 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene?
1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene has a molecular weight of 414.63 g/mol, XLogP of 8.22, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-[3-methyl-5-(4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]oxypent-4-enyl]-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 70365536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).