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

C16H29NO — CID 5366186

IUPAC(6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCCCC(C)/C=C1\CN2CCCC2C(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/b14-10-
InChIKeyOKTQTXDNHCOLHT-UVTDQMKNSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds4

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

(6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 5366186) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID5366186
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCCCC(C)/C=C1\CN2CCCC2C(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/b14-10-
InChIKeyOKTQTXDNHCOLHT-UVTDQMKNSA-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 (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 5366186) is (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CCCCC(C)/C=C1\CN2CCCC2C(C)(O)C1.
What is the InChIKey of (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is OKTQTXDNHCOLHT-UVTDQMKNSA-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/b14-10-.
What are the key properties of (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z)-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 (6Z)-8-methyl-6-(2-methylhexylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 5366186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).