ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene

C13H20 — CID 142273283

IUPACethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene
SMILESC=C1/C=C\CC/C=C\C=C/C1.CC
InChIInChI=1S/C11H14.C2H6/c1-11-9-7-5-3-2-4-6-8-10-11;1-2/h2-3,5,7-8,10H,1,4,6,9H2;1-2H3/b3-2-,7-5-,10-8-;
InChIKeyGYIFRYRFCIHDEG-GWMNQPKRSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds

About ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene

ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene (PubChem CID 142273283) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene.

Molecular Properties

Compound Nameethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene
PubChem CID142273283
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nameethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene
SMILESC=C1/C=C\CC/C=C\C=C/C1.CC
InChIInChI=1S/C11H14.C2H6/c1-11-9-7-5-3-2-4-6-8-10-11;1-2/h2-3,5,7-8,10H,1,4,6,9H2;1-2H3/b3-2-,7-5-,10-8-;
InChIKeyGYIFRYRFCIHDEG-GWMNQPKRSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
cyclohexa-1,3-diene;nickel(2+)
CID 23341936
3-methylcyclodeca-1,3,5,7-tetraene
CID 91613149
(7E,11Z)-cyclotetradeca-1,3,7,11-tetraene
CID 173030521
(1Z,3Z)-cyclodeca-1,3,7-triene
CID 173030744
(1Z,3Z,5E,7Z)-cyclodeca-1,3,5,7-tetraene
CID 102481201
cyclohexa-1,3-diene;platinum
CID 160525491
(3Z,5E,7E,9E,11Z,13E,15E,17Z)-cycloicosa-1,3,5,7,9,11,13,15,17-nonaene
CID 173020725
CID 68982251
CID 68982251
ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene
CID 144619160
azane;cyclohexa-1,3-diene;methanamine
CID 143036167
(5E,9E)-cyclododeca-1,3,5,9-tetraene
CID 173030490

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene?
The IUPAC name of ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene (CID 142273283) is ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene.
What is the SMILES notation for ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene?
The canonical SMILES for ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene is C=C1/C=C\CC/C=C\C=C/C1.CC.
What is the InChIKey of ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene?
The InChIKey is GYIFRYRFCIHDEG-GWMNQPKRSA-N. The full InChI is InChI=1S/C11H14.C2H6/c1-11-9-7-5-3-2-4-6-8-10-11;1-2/h2-3,5,7-8,10H,1,4,6,9H2;1-2H3/b3-2-,7-5-,10-8-;.
What are the key properties of ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene?
ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3Z,7Z)-6-methylidenecyclodeca-1,3,7-triene is sourced from PubChem (CID 142273283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).