(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene

C16H20 — CID 145291749

IUPAC(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene
SMILESC=C/C=C\C=C1\C=C/C=C\C(=C)C(C)(C)C1
InChIInChI=1S/C16H20/c1-5-6-7-11-15-12-9-8-10-14(2)16(3,4)13-15/h5-12H,1-2,13H2,3-4H3/b7-6-,10-8-,12-9-,15-11-
InChIKeyRMQFZDFCHNIJFP-GUHCAUOMSA-N
MW212.34 g/mol
LogP4.75
Rot. Bonds2

About (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene

(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene (PubChem CID 145291749) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene
PubChem CID145291749
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene
SMILESC=C/C=C\C=C1\C=C/C=C\C(=C)C(C)(C)C1
InChIInChI=1S/C16H20/c1-5-6-7-11-15-12-9-8-10-14(2)16(3,4)13-15/h5-12H,1-2,13H2,3-4H3/b7-6-,10-8-,12-9-,15-11-
InChIKeyRMQFZDFCHNIJFP-GUHCAUOMSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.75
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

(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane
CID 143390325
(3Z)-4-methylidene-3-[(2Z)-penta-2,4-dienylidene]cyclopentene
CID 142997299
N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane
CID 91128168
(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine
CID 143332623
(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene
CID 142094976
1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene
CID 145302903
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine oxide
CID 59876417
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(3Z)-hexa-1,3,5-triene;methyl(diphenyl)sulfanium
CID 144703772
1-[(1Z)-buta-1,3-dienyl]-2,3,3,6,6-pentamethylcyclohexa-1,4-diene
CID 143982142
(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole
CID 122519104

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene?
The IUPAC name of (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene (CID 145291749) is (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene.
What is the SMILES notation for (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene?
The canonical SMILES for (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene is C=C/C=C\C=C1\C=C/C=C\C(=C)C(C)(C)C1.
What is the InChIKey of (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene?
The InChIKey is RMQFZDFCHNIJFP-GUHCAUOMSA-N. The full InChI is InChI=1S/C16H20/c1-5-6-7-11-15-12-9-8-10-14(2)16(3,4)13-15/h5-12H,1-2,13H2,3-4H3/b7-6-,10-8-,12-9-,15-11-.
What are the key properties of (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene?
(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene has a molecular weight of 212.34 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene is sourced from PubChem (CID 145291749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).