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

C16H18 — CID 136734752

IUPAC6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
SMILESC=C1C=C(CCC2=CC(=C)CC=C2)C=CC1
InChIInChI=1S/C16H18/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyGQPKGHVENSZYIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.65
Rot. Bonds3

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

6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene (PubChem CID 136734752) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
PubChem CID136734752
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
SMILESC=C1C=C(CCC2=CC(=C)CC=C2)C=CC1
InChIInChI=1S/C16H18/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyGQPKGHVENSZYIW-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253
1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone
CID 91334375
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
(E)-N-chloro-3-(2-phenylethyl)cyclohexa-2,4-dien-1-imine
CID 52982839
6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
CID 136880430
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene
CID 142273283
2-methylidenecyclopent-3-en-1-one
CID 15805386
6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine
CID 143346348
1,2-bis(ethenyl)-3-methylidenecyclohexa-1,4-diene
CID 145268237
6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene
CID 21294245

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The IUPAC name of 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene (CID 136734752) is 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The canonical SMILES for 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene is C=C1C=C(CCC2=CC(=C)CC=C2)C=CC1.
What is the InChIKey of 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The InChIKey is GQPKGHVENSZYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-4,7-8,11-12H,1-2,5-6,9-10H2.
What are the key properties of 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene?
6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene has a molecular weight of 210.32 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 136734752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).