(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane

C27H55NO — CID 142965093

IUPAC(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane
SMILESC.C/C=C(\C=C/CC)CCO.C/C=C\C.CC.CC1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H21N.C9H16O.C4H8.C2H6.CH4/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-5-6-9(4-2)7-8-10;1-3-4-2;1-2;/h10-11H,2-9H2,1H3;4-6,10H,3,7-8H2,1-2H3;3-4H,1-2H3;1-2H3;1H4/b;6-5-,9-4+;4-3-;;
InChIKeyOJXJASYDKLEZPP-RFFLILFJSA-N
MW409.74 g/mol
LogP8.19
Rot. Bonds5

About (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane

(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane (PubChem CID 142965093) has the molecular formula C27H55NO and a molecular weight of 409.74 g/mol. Its IUPAC name is (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane.

Molecular Properties

Compound Name(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane
PubChem CID142965093
Molecular FormulaC27H55NO
Molecular Weight409.74 g/mol
Exact Mass409.43
IUPAC Name(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane
SMILESC.C/C=C(\C=C/CC)CCO.C/C=C\C.CC.CC1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H21N.C9H16O.C4H8.C2H6.CH4/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-5-6-9(4-2)7-8-10;1-3-4-2;1-2;/h10-11H,2-9H2,1H3;4-6,10H,3,7-8H2,1-2H3;3-4H,1-2H3;1-2H3;1H4/b;6-5-,9-4+;4-3-;;
InChIKeyOJXJASYDKLEZPP-RFFLILFJSA-N
XLogP8.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.74
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane
CID 142965101
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 (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane?
The IUPAC name of (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane (CID 142965093) is (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane.
What is the SMILES notation for (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane?
The canonical SMILES for (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane is C.C/C=C(\C=C/CC)CCO.C/C=C\C.CC.CC1CCN(C2CCCCC2)C1.
What is the InChIKey of (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane?
The InChIKey is OJXJASYDKLEZPP-RFFLILFJSA-N. The full InChI is InChI=1S/C11H21N.C9H16O.C4H8.C2H6.CH4/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-5-6-9(4-2)7-8-10;1-3-4-2;1-2;/h10-11H,2-9H2,1H3;4-6,10H,3,7-8H2,1-2H3;3-4H,1-2H3;1-2H3;1H4/b;6-5-,9-4+;4-3-;;.
What are the key properties of (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane?
(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane has a molecular weight of 409.74 g/mol, XLogP of 8.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane is sourced from PubChem (CID 142965093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).