2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene

C24H36S2 — CID 155027449

IUPAC2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene
SMILESCC(C)C/C=C\c1ccc(C(C)CCCCCc2ccc(C(C)C)s2)s1
InChIInChI=1S/C24H36S2/c1-18(2)10-9-13-22-15-17-24(26-22)20(5)11-7-6-8-12-21-14-16-23(25-21)19(3)4/h9,13-20H,6-8,10-12H2,1-5H3/b13-9-
InChIKeyBUSPKXMXFHNXDX-LCYFTJDESA-N
MW388.69 g/mol
LogP8.90
Rot. Bonds11

About 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene

2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene (PubChem CID 155027449) has the molecular formula C24H36S2 and a molecular weight of 388.69 g/mol. Its IUPAC name is 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene.

Molecular Properties

Compound Name2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene
PubChem CID155027449
Molecular FormulaC24H36S2
Molecular Weight388.69 g/mol
Exact Mass388.23
IUPAC Name2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene
SMILESCC(C)C/C=C\c1ccc(C(C)CCCCCc2ccc(C(C)C)s2)s1
InChIInChI=1S/C24H36S2/c1-18(2)10-9-13-22-15-17-24(26-22)20(5)11-7-6-8-12-21-14-16-23(25-21)19(3)4/h9,13-20H,6-8,10-12H2,1-5H3/b13-9-
InChIKeyBUSPKXMXFHNXDX-LCYFTJDESA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene?
The IUPAC name of 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene (CID 155027449) is 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene.
What is the SMILES notation for 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene?
The canonical SMILES for 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene is CC(C)C/C=C\c1ccc(C(C)CCCCCc2ccc(C(C)C)s2)s1.
What is the InChIKey of 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene?
The InChIKey is BUSPKXMXFHNXDX-LCYFTJDESA-N. The full InChI is InChI=1S/C24H36S2/c1-18(2)10-9-13-22-15-17-24(26-22)20(5)11-7-6-8-12-21-14-16-23(25-21)19(3)4/h9,13-20H,6-8,10-12H2,1-5H3/b13-9-.
What are the key properties of 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene?
2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene has a molecular weight of 388.69 g/mol, XLogP of 8.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene is sourced from PubChem (CID 155027449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).