ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene

C19H28 — CID 142528664

IUPACethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene
SMILESC=C/C=C1/C=CC(C)C=CC1=C.C=C/C=C\C.CC
InChIInChI=1S/C12H14.C5H8.C2H6/c1-4-5-12-9-7-10(2)6-8-11(12)3;1-3-5-4-2;1-2/h4-10H,1,3H2,2H3;3-5H,1H2,2H3;1-2H3/b12-5-;5-4-;
InChIKeyBIBKNELNTITISA-IOLUXWQASA-N
MW256.43 g/mol
LogP6.19
Rot. Bonds2

About ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene

ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene (PubChem CID 142528664) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Nameethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene
PubChem CID142528664
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Nameethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene
SMILESC=C/C=C1/C=CC(C)C=CC1=C.C=C/C=C\C.CC
InChIInChI=1S/C12H14.C5H8.C2H6/c1-4-5-12-9-7-10(2)6-8-11(12)3;1-3-5-4-2;1-2/h4-10H,1,3H2,2H3;3-5H,1H2,2H3;1-2H3/b12-5-;5-4-;
InChIKeyBIBKNELNTITISA-IOLUXWQASA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.19
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

(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene
CID 171634183
(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethane;penta-1,3-diene;propane
CID 143367111
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene
CID 143978437
(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran
CID 143812844

Frequently Asked Questions

What is the IUPAC name of ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene?
The IUPAC name of ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene (CID 142528664) is ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene.
What is the SMILES notation for ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene?
The canonical SMILES for ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene is C=C/C=C1/C=CC(C)C=CC1=C.C=C/C=C\C.CC.
What is the InChIKey of ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene?
The InChIKey is BIBKNELNTITISA-IOLUXWQASA-N. The full InChI is InChI=1S/C12H14.C5H8.C2H6/c1-4-5-12-9-7-10(2)6-8-11(12)3;1-3-5-4-2;1-2/h4-10H,1,3H2,2H3;3-5H,1H2,2H3;1-2H3/b12-5-;5-4-;.
What are the key properties of ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene?
ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene has a molecular weight of 256.43 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene is sourced from PubChem (CID 142528664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).