(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane

C18H30 — CID 161028149

IUPAC(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane
SMILESC.C.C/C=C\C=C/C.C/C=c1/cccc/c1=C/C
InChIInChI=1S/C10H12.C6H10.2CH4/c1-3-9-7-5-6-8-10(9)4-2;1-3-5-6-4-2;;/h3-8H,1-2H3;3-6H,1-2H3;2*1H4/b9-3-,10-4-;5-3-,6-4-;;
InChIKeyTZGKYNHATPXEAY-ZKIOOHCNSA-N
MW246.44 g/mol
LogP4.70
Rot. Bonds1

About (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane

(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane (PubChem CID 161028149) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane.

Molecular Properties

Compound Name(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane
PubChem CID161028149
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane
SMILESC.C.C/C=C\C=C/C.C/C=c1/cccc/c1=C/C
InChIInChI=1S/C10H12.C6H10.2CH4/c1-3-9-7-5-6-8-10(9)4-2;1-3-5-6-4-2;;/h3-8H,1-2H3;3-6H,1-2H3;2*1H4/b9-3-,10-4-;5-3-,6-4-;;
InChIKeyTZGKYNHATPXEAY-ZKIOOHCNSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 54.70
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

(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane
CID 123449612
(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88997175
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
CID 130370242
1-[(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]-4-methylbenzene
CID 145232469
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
(5Z,6Z)-5-ethylidene-6-[(Z)-pent-3-en-2-ylidene]cyclohexa-1,3-diene
CID 145127777
(4E)-hexa-2,4-diene
CID 22435466
benzylidyne-[(1E,3Z)-penta-1,3-dienyl]-λ4-sulfane
CID 145265252
2-penta-1,3-dienylphenol
CID 141162259
(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethanamine
CID 144667223
(5Z,6Z)-5-ethylidene-6-[(E)-2-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 162733287

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane?
The IUPAC name of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane (CID 161028149) is (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane.
What is the SMILES notation for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane?
The canonical SMILES for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane is C.C.C/C=C\C=C/C.C/C=c1/cccc/c1=C/C.
What is the InChIKey of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane?
The InChIKey is TZGKYNHATPXEAY-ZKIOOHCNSA-N. The full InChI is InChI=1S/C10H12.C6H10.2CH4/c1-3-9-7-5-6-8-10(9)4-2;1-3-5-6-4-2;;/h3-8H,1-2H3;3-6H,1-2H3;2*1H4/b9-3-,10-4-;5-3-,6-4-;;.
What are the key properties of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane?
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane has a molecular weight of 246.44 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane is sourced from PubChem (CID 161028149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).