(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene

C13H16 — CID 171634183

IUPAC(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene
SMILESC=C/C=C1/C=CC(C)C=C/C1=C/C
InChIInChI=1S/C13H16/c1-4-6-13-10-8-11(3)7-9-12(13)5-2/h4-11H,1H2,2-3H3/b12-5-,13-6-
InChIKeyWQXPAGYUHAXGNZ-VFWKFLPVSA-N
MW172.27 g/mol
LogP3.81
Rot. Bonds1

About (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene

(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene (PubChem CID 171634183) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene.

Molecular Properties

Compound Name(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene
PubChem CID171634183
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene
SMILESC=C/C=C1/C=CC(C)C=C/C1=C/C
InChIInChI=1S/C13H16/c1-4-6-13-10-8-11(3)7-9-12(13)5-2/h4-11H,1H2,2-3H3/b12-5-,13-6-
InChIKeyWQXPAGYUHAXGNZ-VFWKFLPVSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene
CID 142528664
CID 174141270
CID 174141270
(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran
CID 143812844
N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene
CID 142585035
ethane;3-ethenyl-4-[(4Z,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1H-pyrrol-2-yl]-7-methyl-7H-cyclohepta[c]pyran-1-one
CID 144886900
4-methylcyclohexa-2,5-diene-1-thione
CID 129294481
(2-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl) acetate
CID 145423225
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)cyclohepta-2,6-diene-1-carbonyl chloride
CID 134445725
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
CID 142823520
(2R,5Z,6E)-3-(acetamidomethyl)-6-ethylidene-2-methyl-5-prop-2-enylidene-2H-pyridine-1-sulfinic acid
CID 146175055
N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine
CID 167507213
ethene;5-methylcyclohepta-1,3,6-trien-1-ol
CID 144507325

Frequently Asked Questions

What is the IUPAC name of (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene?
The IUPAC name of (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene (CID 171634183) is (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene.
What is the SMILES notation for (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene?
The canonical SMILES for (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene is C=C/C=C1/C=CC(C)C=C/C1=C/C.
What is the InChIKey of (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene?
The InChIKey is WQXPAGYUHAXGNZ-VFWKFLPVSA-N. The full InChI is InChI=1S/C13H16/c1-4-6-13-10-8-11(3)7-9-12(13)5-2/h4-11H,1H2,2-3H3/b12-5-,13-6-.
What are the key properties of (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene?
(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene has a molecular weight of 172.27 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene is sourced from PubChem (CID 171634183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).