6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene

C16H15+ — CID 136880430

IUPAC6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
SMILESC=C1C=C(/C=C/C2=CC(=C)CC=C2)C=C[CH+]1
InChIInChI=1S/C16H15/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-5,7-12H,1-2,6H2/q+1/b10-9+
InChIKeyXUPIEBBBEGLPKS-MDZDMXLPSA-N
MW207.30 g/mol
LogP4.24
Rot. Bonds2

About 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene

6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene (PubChem CID 136880430) has the molecular formula C16H15+ and a molecular weight of 207.30 g/mol. Its IUPAC name is 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
PubChem CID136880430
Molecular FormulaC16H15+
Molecular Weight207.30 g/mol
Exact Mass207.12
IUPAC Name6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
SMILESC=C1C=C(/C=C/C2=CC(=C)CC=C2)C=C[CH+]1
InChIInChI=1S/C16H15/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-5,7-12H,1-2,6H2/q+1/b10-9+
InChIKeyXUPIEBBBEGLPKS-MDZDMXLPSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 136734752
1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone
CID 91334375
6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253
5-methylidene-2-(3-methylidenecyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene
CID 173128708
6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane
CID 145149614
1,2-bis(ethenyl)-3-methylidenecyclohexa-1,4-diene
CID 145268237
N-[3-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]carbamoyl bromide
CID 151006509
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium
CID 154277578
1-(chloromethyl)-4-ethenylcyclohepta-1,3,5-triene
CID 145346186
(4Z)-3-methylidene-4-prop-2-enylidenecyclohexene
CID 142354681
(3Z)-4-methylidene-3-[(2Z)-penta-2,4-dienylidene]cyclopentene
CID 142997299

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
The IUPAC name of 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene (CID 136880430) is 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene.
What is the SMILES notation for 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
The canonical SMILES for 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene is C=C1C=C(/C=C/C2=CC(=C)CC=C2)C=C[CH+]1.
What is the InChIKey of 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
The InChIKey is XUPIEBBBEGLPKS-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-5,7-12H,1-2,6H2/q+1/b10-9+.
What are the key properties of 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene?
6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene has a molecular weight of 207.30 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene is sourced from PubChem (CID 136880430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).