1-hept-6-enyl-4-propan-2-yloxyindole

C18H25NO — CID 107010208

IUPAC1-hept-6-enyl-4-propan-2-yloxyindole
SMILESC=CCCCCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C18H25NO/c1-4-5-6-7-8-13-19-14-12-16-17(19)10-9-11-18(16)20-15(2)3/h4,9-12,14-15H,1,5-8,13H2,2-3H3
InChIKeyMUGNKELXKHKHSM-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.17
Rot. Bonds8

About 1-hept-6-enyl-4-propan-2-yloxyindole

1-hept-6-enyl-4-propan-2-yloxyindole (PubChem CID 107010208) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-hept-6-enyl-4-propan-2-yloxyindole.

Molecular Properties

Compound Name1-hept-6-enyl-4-propan-2-yloxyindole
PubChem CID107010208
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-hept-6-enyl-4-propan-2-yloxyindole
SMILESC=CCCCCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C18H25NO/c1-4-5-6-7-8-13-19-14-12-16-17(19)10-9-11-18(16)20-15(2)3/h4,9-12,14-15H,1,5-8,13H2,2-3H3
InChIKeyMUGNKELXKHKHSM-UHFFFAOYSA-N
XLogP5.17
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-4-propan-2-yloxyindole?
The IUPAC name of 1-hept-6-enyl-4-propan-2-yloxyindole (CID 107010208) is 1-hept-6-enyl-4-propan-2-yloxyindole.
What is the SMILES notation for 1-hept-6-enyl-4-propan-2-yloxyindole?
The canonical SMILES for 1-hept-6-enyl-4-propan-2-yloxyindole is C=CCCCCCn1ccc2c(OC(C)C)cccc21.
What is the InChIKey of 1-hept-6-enyl-4-propan-2-yloxyindole?
The InChIKey is MUGNKELXKHKHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-5-6-7-8-13-19-14-12-16-17(19)10-9-11-18(16)20-15(2)3/h4,9-12,14-15H,1,5-8,13H2,2-3H3.
What are the key properties of 1-hept-6-enyl-4-propan-2-yloxyindole?
1-hept-6-enyl-4-propan-2-yloxyindole has a molecular weight of 271.40 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-4-propan-2-yloxyindole is sourced from PubChem (CID 107010208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).