(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane

C25H49NO — CID 142965101

IUPAC(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane
SMILESC.C/C=C\C=C(/C=C\CC)CCO.CC.CC1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H21N.C11H18O.C2H6.CH4/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-5-7-11(9-10-12)8-6-4-2;1-2;/h10-11H,2-9H2,1H3;3,5-8,12H,4,9-10H2,1-2H3;1-2H3;1H4/b;5-3-,8-6-,11-7+;;
InChIKeyTVNWZBHZQQUKSS-NQDKATCXSA-N
MW379.67 g/mol
LogP7.16
Rot. Bonds6

About (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane

(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane (PubChem CID 142965101) has the molecular formula C25H49NO and a molecular weight of 379.67 g/mol. Its IUPAC name is (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane.

Molecular Properties

Compound Name(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane
PubChem CID142965101
Molecular FormulaC25H49NO
Molecular Weight379.67 g/mol
Exact Mass379.38
IUPAC Name(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane
SMILESC.C/C=C\C=C(/C=C\CC)CCO.CC.CC1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H21N.C11H18O.C2H6.CH4/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-5-7-11(9-10-12)8-6-4-2;1-2;/h10-11H,2-9H2,1H3;3,5-8,12H,4,9-10H2,1-2H3;1-2H3;1H4/b;5-3-,8-6-,11-7+;;
InChIKeyTVNWZBHZQQUKSS-NQDKATCXSA-N
XLogP7.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane with MolForge

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Related Compounds

(2S,5R,6Z)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol
CID 162955588
(2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol
CID 15939796
(5R,Z)-5-Methyl-6-((S)-1,2,3,8a-tetrahydroindolizin-6(5H)-ylidene)hexan-2-ol
CID 91723904
(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane
CID 142965093
1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol
CID 142966055
(1R)-3-(4-methylcyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol
CID 164057527
6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-ol
CID 73201035
(5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol
CID 101385674

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane?
The IUPAC name of (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane (CID 142965101) is (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane.
What is the SMILES notation for (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane?
The canonical SMILES for (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane is C.C/C=C\C=C(/C=C\CC)CCO.CC.CC1CCN(C2CCCCC2)C1.
What is the InChIKey of (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane?
The InChIKey is TVNWZBHZQQUKSS-NQDKATCXSA-N. The full InChI is InChI=1S/C11H21N.C11H18O.C2H6.CH4/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-5-7-11(9-10-12)8-6-4-2;1-2;/h10-11H,2-9H2,1H3;3,5-8,12H,4,9-10H2,1-2H3;1-2H3;1H4/b;5-3-,8-6-,11-7+;;.
What are the key properties of (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane?
(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane has a molecular weight of 379.67 g/mol, XLogP of 7.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane is sourced from PubChem (CID 142965101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).