(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol

C17H31NO — CID 91721043

IUPAC(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol
SMILESCC(O)CCCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C17H31NO/c1-13(6-4-7-15(3)19)10-16-11-14(2)17-8-5-9-18(17)12-16/h10,13-15,17,19H,4-9,11-12H2,1-3H3/b16-10-
InChIKeyDRSBKRSVSKLTIP-YBEGLDIGSA-N
MW265.44 g/mol
LogP3.60
Rot. Bonds5

About (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol

(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol (PubChem CID 91721043) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol.

Molecular Properties

Compound Name(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol
PubChem CID91721043
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol
SMILESCC(O)CCCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C17H31NO/c1-13(6-4-7-15(3)19)10-16-11-14(2)17-8-5-9-18(17)12-16/h10,13-15,17,19H,4-9,11-12H2,1-3H3/b16-10-
InChIKeyDRSBKRSVSKLTIP-YBEGLDIGSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z,8S,8aS)-6-[(2R)-5-hydroxy-2-methylhexylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13995831
Pumiliotoxin 309a
CID 5366187
(8S,8aS,Z)-6-((2R)-5-Hydroxy-2-methylhexylidene)-8-methyloctahydroindolizin-8-ol
CID 5366188
(E)-7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)hept-3-en-2-ol
CID 5372435
(Z)-7-[(5R,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]hept-3-en-2-ol
CID 14863810
(6R,Z)-6-Methyl-7-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)heptane-2,3-diol
CID 91695465
(3Z)-7-(8-Methyloctahydro-5-indolizinyl)-3-hepten-2-ol
CID 91715955
(Z)-9-((5R,8R,8aS)-8-Methyloctahydroindolizin-5-yl)non-5-en-2-ol
CID 91716154
(5R,Z)-5-Methyl-6-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)hexan-2-ol
CID 91721003
(7R,Z)-4,7-Dimethyl-8-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)octan-3-ol
CID 91721005
(4E,7R,8Z)-4,7-Dimethyl-8-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)oct-4-en-3-ol
CID 91721015
(8S,8aS,Z)-6-((2R)-4-Hydroxy-2-methylpentylidene)-8-methyloctahydroindolizin-8-ol
CID 91724243

Frequently Asked Questions

What is the IUPAC name of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol?
The IUPAC name of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol (CID 91721043) is (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol.
What is the SMILES notation for (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol?
The canonical SMILES for (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol is CC(O)CCCC(C)/C=C1/CC(C)C2CCCN2C1.
What is the InChIKey of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol?
The InChIKey is DRSBKRSVSKLTIP-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(6-4-7-15(3)19)10-16-11-14(2)17-8-5-9-18(17)12-16/h10,13-15,17,19H,4-9,11-12H2,1-3H3/b16-10-.
What are the key properties of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol?
(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol has a molecular weight of 265.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptan-2-ol is sourced from PubChem (CID 91721043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).