ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane

C24H40 — CID 145162822

IUPACethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane
SMILESC.C=C/C=C\C(=C/C)C1(C2=CCC=CC=C2)CCCC1.CC.CC
InChIInChI=1S/C19H24.2C2H6.CH4/c1-3-5-12-17(4-2)19(15-10-11-16-19)18-13-8-6-7-9-14-18;2*1-2;/h3-8,12-14H,1,9-11,15-16H2,2H3;2*1-2H3;1H4/b12-5-,17-4+;;;
InChIKeyMLUREMGAFJKKRG-KYKFXWNGSA-N
MW328.58 g/mol
LogP8.37
Rot. Bonds4

About ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane

ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane (PubChem CID 145162822) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane.

Molecular Properties

Compound Nameethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane
PubChem CID145162822
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Nameethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane
SMILESC.C=C/C=C\C(=C/C)C1(C2=CCC=CC=C2)CCCC1.CC.CC
InChIInChI=1S/C19H24.2C2H6.CH4/c1-3-5-12-17(4-2)19(15-10-11-16-19)18-13-8-6-7-9-14-18;2*1-2;/h3-8,12-14H,1,9-11,15-16H2,2H3;2*1-2H3;1H4/b12-5-,17-4+;;;
InChIKeyMLUREMGAFJKKRG-KYKFXWNGSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene
CID 145055342
(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane
CID 145365921
cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene
CID 164866852
cyclopenta-1,3-diene;prop-1-ene
CID 21266721
N-[(E)-1-[3-cyclohepta-1,4,6-trien-1-yl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methyl-6H-azulen-1-yl]prop-1-en-2-yl]-9-ethyl-9-methyl-N-[4-methyl-3-(2-phenylpropan-2-yl)phenyl]fluoren-2-amine
CID 126548676
(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
CID 143461732
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohepta-1,4,6-trien-1-ylfluorene;ethane
CID 145317858
3-cyclopenta-1,4-dien-1-yl-1,2-bis(ethenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5,5-dimethylcyclopentene;ethane;ethene
CID 145407373
2-(1-propan-2-ylcyclopentyl)cyclopenta-1,3-diene
CID 87359254
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one
CID 75076980
1-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-yl]ethanone
CID 142949817

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane?
The IUPAC name of ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane (CID 145162822) is ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane.
What is the SMILES notation for ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane?
The canonical SMILES for ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane is C.C=C/C=C\C(=C/C)C1(C2=CCC=CC=C2)CCCC1.CC.CC.
What is the InChIKey of ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane?
The InChIKey is MLUREMGAFJKKRG-KYKFXWNGSA-N. The full InChI is InChI=1S/C19H24.2C2H6.CH4/c1-3-5-12-17(4-2)19(15-10-11-16-19)18-13-8-6-7-9-14-18;2*1-2;/h3-8,12-14H,1,9-11,15-16H2,2H3;2*1-2H3;1H4/b12-5-,17-4+;;;.
What are the key properties of ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane?
ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane has a molecular weight of 328.58 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane is sourced from PubChem (CID 145162822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).