ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene

C14H22 — CID 142299851

IUPACethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene
SMILESC/C=c1/ccc(CC)c/c1=C/C.CC
InChIInChI=1S/C12H16.C2H6/c1-4-10-7-8-11(5-2)12(6-3)9-10;1-2/h5-9H,4H2,1-3H3;1-2H3/b11-5-,12-6-;
InChIKeyWSSAAOUYHGGUPY-LYSWKTIWSA-N
MW190.33 g/mol
LogP2.88
Rot. Bonds1

About ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene

ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene (PubChem CID 142299851) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene
PubChem CID142299851
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene
SMILESC/C=c1/ccc(CC)c/c1=C/C.CC
InChIInChI=1S/C12H16.C2H6/c1-4-10-7-8-11(5-2)12(6-3)9-10;1-2/h5-9H,4H2,1-3H3;1-2H3/b11-5-,12-6-;
InChIKeyWSSAAOUYHGGUPY-LYSWKTIWSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene?
The IUPAC name of ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene (CID 142299851) is ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene.
What is the SMILES notation for ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene?
The canonical SMILES for ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene is C/C=c1/ccc(CC)c/c1=C/C.CC.
What is the InChIKey of ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene?
The InChIKey is WSSAAOUYHGGUPY-LYSWKTIWSA-N. The full InChI is InChI=1S/C12H16.C2H6/c1-4-10-7-8-11(5-2)12(6-3)9-10;1-2/h5-9H,4H2,1-3H3;1-2H3/b11-5-,12-6-;.
What are the key properties of ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene?
ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6Z)-2-ethyl-5,6-di(ethylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 142299851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).