ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane

C15H26 — CID 157035822

IUPACethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane
SMILESC=C/C=C1C(=C/C)\CCC\1C(C)C.CC
InChIInChI=1S/C13H20.C2H6/c1-5-7-13-11(6-2)8-9-12(13)10(3)4;1-2/h5-7,10,12H,1,8-9H2,2-4H3;1-2H3/b11-6-,13-7+;
InChIKeyOXTMKKYOSWEHLV-HHHBRDRPSA-N
MW206.37 g/mol
LogP5.14
Rot. Bonds2

About ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane

ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane (PubChem CID 157035822) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane.

Molecular Properties

Compound Nameethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane
PubChem CID157035822
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane
SMILESC=C/C=C1C(=C/C)\CCC\1C(C)C.CC
InChIInChI=1S/C13H20.C2H6/c1-5-7-13-11(6-2)8-9-12(13)10(3)4;1-2/h5-7,10,12H,1,8-9H2,2-4H3;1-2H3/b11-6-,13-7+;
InChIKeyOXTMKKYOSWEHLV-HHHBRDRPSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane?
The IUPAC name of ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane (CID 157035822) is ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane.
What is the SMILES notation for ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane?
The canonical SMILES for ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane is C=C/C=C1C(=C/C)\CCC\1C(C)C.CC.
What is the InChIKey of ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane?
The InChIKey is OXTMKKYOSWEHLV-HHHBRDRPSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-5-7-13-11(6-2)8-9-12(13)10(3)4;1-2/h5-7,10,12H,1,8-9H2,2-4H3;1-2H3/b11-6-,13-7+;.
What are the key properties of ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane?
ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane has a molecular weight of 206.37 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane is sourced from PubChem (CID 157035822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).