8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C16H29NO — CID 551091

IUPAC8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCCCC(C)C=C1CN2CCCC2C(C)(O)C1
InChIInChI=1S/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3
InChIKeyOKTQTXDNHCOLHT-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds4

About 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol

8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 551091) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID551091
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCCCC(C)C=C1CN2CCCC2C(C)(O)C1
InChIInChI=1S/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3
InChIKeyOKTQTXDNHCOLHT-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 551091) is 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CCCCC(C)C=C1CN2CCCC2C(C)(O)C1.
What is the InChIKey of 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is OKTQTXDNHCOLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3.
What are the key properties of 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 251.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 551091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).