(E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol

C19H33NO — CID 91721015

IUPAC(E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol
SMILESCCC(O)/C(C)=C/CC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C19H33NO/c1-5-19(21)15(3)9-8-14(2)11-17-12-16(4)18-7-6-10-20(18)13-17/h9,11,14,16,18-19,21H,5-8,10,12-13H2,1-4H3/b15-9+,17-11-
InChIKeyMXWVOYNDPAPYIX-OZFFNSMRSA-N
MW291.48 g/mol
LogP4.16
Rot. Bonds5

About (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol

(E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol (PubChem CID 91721015) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol.

Molecular Properties

Compound Name(E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol
PubChem CID91721015
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol
SMILESCCC(O)/C(C)=C/CC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C19H33NO/c1-5-19(21)15(3)9-8-14(2)11-17-12-16(4)18-7-6-10-20(18)13-17/h9,11,14,16,18-19,21H,5-8,10,12-13H2,1-4H3/b15-9+,17-11-
InChIKeyMXWVOYNDPAPYIX-OZFFNSMRSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(E,2R,3R,7R,8Z)-8-[(8S)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
CID 101173204
(1S,3E)-3-(2-methylpropylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 177401033
(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 91724243
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 10356275
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol
CID 107151590
(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 10987517
3-butan-2-yl-1-(2-methylcyclopentyl)piperazine
CID 64952202
6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
CID 551111
(E)-2-methyl-1-[(1R)-3-methylcyclohex-3-en-1-yl]pent-1-en-3-ol
CID 146539254
1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874

Frequently Asked Questions

What is the IUPAC name of (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol?
The IUPAC name of (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol (CID 91721015) is (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol.
What is the SMILES notation for (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol?
The canonical SMILES for (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol is CCC(O)/C(C)=C/CC(C)/C=C1/CC(C)C2CCCN2C1.
What is the InChIKey of (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol?
The InChIKey is MXWVOYNDPAPYIX-OZFFNSMRSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-19(21)15(3)9-8-14(2)11-17-12-16(4)18-7-6-10-20(18)13-17/h9,11,14,16,18-19,21H,5-8,10,12-13H2,1-4H3/b15-9+,17-11-.
What are the key properties of (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol?
(E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol has a molecular weight of 291.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)oct-4-en-3-ol is sourced from PubChem (CID 91721015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).